SCHEMBL1079263

SCHEMBL1079263

C=CCN1CCCN(CC=C)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 3/20 0.38
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
ADRA1A P35348 2/20 0.36
MAPT P10636 2/20 0.36
LMNA P02545 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
HRH1 P35367 1/20 0.36
DRD3 P35462 1/20 0.36
OPRK1 P41145 1/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SIGMAR1 Q99720 1/20 0.36
ADRA1D P25100 1/20 0.35
ADRA1B P35368 1/20 0.35
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4957978 0.97
SCHEMBL6958212 0.92 OPRD1 (0.35) OPRD1ADRA2AADRA2BADRA2CHRH3
SCHEMBL88222 0.91
SCHEMBL1489209 0.91
SCHEMBL3970107 0.91 OPRD1 (0.41) OPRD1ADRA2AADRA2BADRA2CHRH3
SCHEMBL6692977 0.91 OPRD1 (0.41) OPRD1ADRA2AADRA2BADRA2CHRH3
SCHEMBL290880 0.91
SCHEMBL327601 0.91 OPRD1 (0.41) OPRD1ADRA2AADRA2BADRA2CHRH3
SCHEMBL1081392 0.88 HRH3 (0.39) OPRD1ADRA2AADRA2BADRA2CHRH3
SCHEMBL486492 0.88

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 34 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8969340-B2 Methods for treating chronic pelvic pain syndrome NORTHWESTERN UNIVERSITY (US) 2015-03-03 US disclosed
US-20130303530-A1 METHODS FOR TREATING CHRONIC PELVIC PAIN SYNDROME WITH ANTIBODIES THAT BINDS MCP-1 OR MIP-1A NORTHWESTERN UNIVERSITY (US) 2013-11-14 US disclosed
US-8481035-B2 Methods for treating chronic pelvic pain syndrome with antibodies that binds MCP-1 or MIP-1A NORTHWESTERN UNIVERSITY (US) 2013-07-09 US disclosed
US-20110014205-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC PELVIC PAIN SYNDROME MOMENTIVE PERFORMANCE MATERIALS INC. 2011-01-20 US disclosed
US-7776884-B2 Cyclic derivatives as modulators of chemokine receptors activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-17 US disclosed
US-7696205-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2010-04-13 US disclosed
US-7572813-B2 Cyclic amide derivative as monocyte chemotactic protein modulator; prevention and treatment of rheumatoid arthritis, multiple sclerosis, atherosclerosis and asthma; antiinflammatory agents; N-[2-[[(cis) -2-[[1- (4-Chlorophenyl)ethyl]amino]cyclohexyl]amino]-2-oxoethyl]-3-(trifluoromethyl)benzamide BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-11 US disclosed
US-7468440-B2 Malonamides and malonamide derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-12-23 US disclosed
US-7449493-B2 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMACEUTICAL COMPANY (US) 2008-11-11 US disclosed
US-7381738-B2 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-03 US disclosed
US-20050227960-A1 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-10-13 US disclosed
US-20050192276-A1 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-09-01 US disclosed
US-20040235835-A1 Malonamides and malonamide derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US disclosed
US-20040186143-A1 Lactams as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 US disclosed
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 US disclosed
US-20040110736-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT (US) 2004-06-10 US disclosed
US-6706712-B2 RHEUMATIC DISEASES, MULTIPLE SCLEROSIS, ASTHMA, ANTICHOLESTEROL AGENTS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-03-16 US disclosed
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2003-11-20 US disclosed
US-20030060459-A1 Diamines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-03-27 US disclosed
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-01-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20050192276-A1 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity CCR1, CCR2, BDKRB1 OPRD1 547/4885ADRA2A 228/4885ADRA2B 153/4885
US-20040235835-A1 Malonamides and malonamide derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 OPRD1 1974/4885ADRA2A 1545/4885ADRA2B 1491/4885
US-20040110736-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 OPRD1 1118/4885ADRA2A 627/4885ADRA2B 384/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 OPRD1 1225/4885ADRA2A 623/4885ADRA2B 419/4885
US-20030004151-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 OPRD1 1118/4885ADRA2A 627/4885ADRA2B 384/4885
US-20040186143-A1 Lactams as modulators of chemokine receptor activity CCL11, CCR1, CXCR1 OPRD1 1526/4885ADRA2A 1615/4885ADRA2B 1347/4885
US-20130303530-A1 METHODS FOR TREATING CHRONIC PELVIC PAIN SYNDROME WITH ANTIBODIES THAT BINDS MCP-1 OR MIP-1A CCR1, CCR2, CCL2 OPRD1 63/4885ADRA2A 187/4885ADRA2B 396/4885
US-20050227960-A1 Substituted bicycloalkylamine derivatives as modulators of chemokine receptor activity CCR1, CCR2, CCR10 OPRD1 485/4885ADRA2A 100/4885ADRA2B 92/4885
US-20110014205-A1 METHODS AND COMPOSITIONS FOR TREATING CHRONIC PELVIC PAIN SYNDROME CCR2, CCR1, CCL2 OPRD1 73/4885ADRA2A 198/4885ADRA2B 402/4885
US-20030060459-A1 Diamines as modulators of chemokine receptor activity CCL11, CCR1, CCR2 OPRD1 1502/4885ADRA2A 903/4885ADRA2B 703/4885
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity CCR1, CCL11, CXCR1 OPRD1 1070/4885ADRA2A 831/4885ADRA2B 472/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.