SCHEMBL42475

SCHEMBL42475

OCCOCCN1CC[N]CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
MAPK1 P28482 2/20 0.42
TSHR P16473 1/20 0.42
HTR7 P34969 3/20 0.41
CHRM2 P08172 2/20 0.41
ADRA2A P08913 2/20 0.41
DRD2 P14416 2/20 0.41
ADRA2B P18089 2/20 0.41
ADRA2C P18825 2/20 0.41
DRD4 P21917 2/20 0.41
HRH2 P25021 2/20 0.41
HTR2A P28223 2/20 0.41
ADRA1A P35348 2/20 0.41
HRH1 P35367 2/20 0.41
DRD3 P35462 2/20 0.41
OPRK1 P41145 2/20 0.41
HTR2B P41595 2/20 0.41
HTR6 P50406 2/20 0.41
KCNH2 Q12809 2/20 0.41

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
SCHEMBL1275183 0.98 MEN1 (0.44) HTR1ASMN1; SMN2MAPK1TSHRHTR7
SCHEMBL4905012 0.84 HTR1A (0.54) HTR1ASMN1; SMN2MAPK1TSHRHTR7
SCHEMBL8966405 0.84
SCHEMBL6475492 0.83 HTR1A (0.31) HTR1AHTR7CHRM2ADRA2ADRD2
SCHEMBL31305373 0.82 MEN1 (0.55) HTR1ASMN1; SMN2MAPK1TSHRHTR7
SCHEMBL31305372 0.82 MEN1 (0.55) HTR1ASMN1; SMN2MAPK1TSHRHTR7
SCHEMBL3431530 0.80 HTR1A (0.51) HTR1ASMN1; SMN2MAPK1TSHRHTR7
SCHEMBL1469605 0.80 TSHR (0.48) HTR1ASMN1; SMN2MAPK1TSHRHTR7
SCHEMBL7510266 0.79 KDM4E (0.34) HTR1AMAPK1CHRM2HTR2AHRH1
SCHEMBL10509584 0.78 HRH3 (0.48) HTR1ASMN1; SMN2MAPK1TSHRHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150368248-A1 2-SUBSTITUTED-6-BIARYLMETHYLAMINO-9-CYCLOPENTYL-9H-PURINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS BIOPATTERNS S.R.O. (CZ) 2015-12-24 US claimed
EP-2953951-A2 2-SUBSTITUTED-6-BIARYLMETHYLAMINO-9-CYCLOPENTYL-9H-PURINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS Univerzita palackeho V Olomouci (CZ) 2015-12-16 EP claimed
WO-2014121764-A2 2-SUBSTITUTED-6-BIARYLMETHYLAMINO-9-CYCLOPENTYL-9H-PURINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS UNIVERZITA PALACKEHO V OLOMOUCI (CZ) 2014-08-14 WO claimed
WO-2008057420-A2 EXTENDED TRITERPENE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-05-15 WO claimed
EP-1865963-A2 TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR Acadia Pharmaceuticals Inc. (US) 2007-12-19 EP claimed
US-20060217370-A1 Compounds useful for the treatment and prevention of pain and screening methods therefor ACADIA PHARMACEUTICALS INC. 2006-09-28 US claimed
WO-2006089286-A2 TRIAZADIBENZOAZULENE COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR COMPOUNDS USEFUL FOR THE TREATMENT AND PREVENTION OF PAIN AND SCREENING METHODS THEREFOR ACADIA PHARMACEUTICALS INC. (US) 2006-08-24 WO claimed
US-7034016-B2 8-phenyl-6,9-dihydro-[1,2,4]triazolo[3,4-i]purin-5-one derivatives ALMIRALL PRODESFARMA, S.A. (ES) 2006-04-25 US claimed
EP-0914333-B1 PEPTIDE DERIVATIVES ASTRAZENECA AB (SE) 2004-11-24 EP claimed
EP-0932618-B1 PEPTIDE ANALOGUES CONTAINING A 7-MEMBERED LACTAM RING ASTRAZENECA AB (SE) 2003-12-10 EP claimed
EP-0946589-A1 INHIBITORS OF PEPTIDE BINDING TO MHC CLASS II PROTEINS ZENECA LIMITED (GB) 1999-10-06 EP claimed
EP-0932618-A1 PEPTIDE ANALOGUES CONTAINING A 7-MEMBERED LACTAM RING AstraZeneca AB (SE) 1999-08-04 EP claimed
EP-0914333-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1999-05-12 EP claimed
WO-1999006381-A1 A CRYSTALLINE DIBENZOTHIAZEPINE DERIVATIVE AND ITS USE AS AN ANTIPSYCHOTIC AGENT ZENECA LIMITED (GB) 1999-02-11 WO claimed
EP-0882066-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1998-12-09 EP claimed
WO-1998025951-A1 INHIBITORS OF PEPTIDE BINDING TO MHC CLASS II PROTEINS ZENECA LIMITED (GB) 1998-06-18 WO claimed
WO-1998023644-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1998-06-04 WO claimed
WO-1998017680-A1 PEPTIDE ANALOGUES CONTAINING A 7-MEMBERED LACTAM RING ZENECA LIMITED (GB) 1998-04-30 WO claimed
WO-1997046578-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-12-11 WO claimed
WO-1997031023-A1 PEPTIDE DERIVATIVES ZENECA LIMITED (GB) 1997-08-28 WO claimed

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

For each of this compound's patents that has machine-readable text (2 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-20150368248-A1 2-SUBSTITUTED-6-BIARYLMETHYLAMINO-9-CYCLOPENTYL-9H-PURINE DERIVATIVES, USE THEREOF AS MEDICAMENTS, AND PHARMACEUTICAL COMPOSITIONS ENTPD5, PNP, HCCS HTR1A 1297/4885SMN1; SMN2 4709/4885MAPK1 3565/4885
US-20060217370-A1 Compounds useful for the treatment and prevention of pain and screening methods therefor ACHE, OPRL1, OPRK1 HTR1A 1228/4885SMN1; SMN2 1227/4885MAPK1 4375/4885

“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.