SCHEMBL5366293

SCHEMBL5366293

O=C(c1ccccc1)N1CCC(CN2CCC(Cc3ccccc3)CC2)CC1

nearest known ligand 0.70

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.67
CA12 O43570 1/20 0.64
CA1 P00915 1/20 0.64
CA2 P00918 1/20 0.64
CA7 P43166 1/20 0.64
CA9 Q16790 1/20 0.64
CA14 Q9ULX7 1/20 0.64
GAA P10253 1/20 0.63
CYP2C9 P11712 3/20 0.59
CYP2C19 P33261 3/20 0.59
MAPK14 Q16539 3/20 0.59
HTR2B P41595 2/20 0.59
SIGMAR1 Q99720 1/20 0.58
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
RAB9A P51151 1/20 0.56

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
SCHEMBL7232379 0.92 HTT (0.73) HTTCA12CA1CA2CA7
SCHEMBL10719972 0.89 HTT (0.78) HTTCA12CA1CA2CA7
SCHEMBL5359292 0.88 SPR (0.60) HTTCA12CA1CA2CA7
SCHEMBL5352790 0.88 CYP2C9 (0.58) HTTCA12CA1CA2CA7
SCHEMBL7824996 0.87 HTT (0.61) HTTCA12CA1CA2CA7
SCHEMBL5356282 0.85 CCR3 (0.64) HTTCYP2C9CYP2C19MAPK14SIGMAR1
SCHEMBL10723602 0.85 MGLL (0.67) HTTCA12CA1CA2CA7
SCHEMBL5366470 0.84 TACR3 (0.71) HTTGAASIGMAR1MEN1KMT2A
SCHEMBL7238728 0.83 HTT (0.70) HTTCA12CA1CA2CA7
SCHEMBL5353463 0.83 MEN1 (0.63) CYP2C9CYP2C19MAPK14MEN1KMT2A

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY KO SOO S 2007-12-27 US claimed
US-7312222-B2 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-25 US claimed
US-20040186097-A1 Heterocyclic piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-09-23 US claimed
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-29 US claimed
EP-1140834-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP claimed
WO-2000035877-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO claimed
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY KO SOO S 2007-12-27 US disclosed
US-7312222-B2 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-12-25 US disclosed
US-20040186097-A1 Heterocyclic piperidines as modulators of chemokine receptor activity KO SOO S (US) 2004-09-23 US disclosed
US-6759411-B2 ANTIHISTAMINES, ANTIALLERGENS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-07-06 US disclosed
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-08-29 US disclosed
US-6331545-B1 TREATING ASTHMA, ALLERGIC RHINITIS, ATOPIC DERMATITIS, AND INFLAMMATORY BOWEL DISEASES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-12-18 US disclosed
EP-1140834-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Du Pont Pharmaceuticals Company (US) 2001-10-10 EP disclosed
WO-2000035877-A1 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY DU PONT PHARMACEUTICALS COMPANY (US) 2000-06-22 WO 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 (3 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-20040186097-A1 Heterocyclic piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR4 HTT 4766/4885CA12 3099/4885CA1 1962/4885
US-20020119980-A1 Heterocyclic piperidines as modulators of chemokine receptor activity CCR3, CCR1, CCR4 HTT 4766/4885CA12 3099/4885CA1 1962/4885
US-20070299057-A9 HETEROCYCLIC PIPERIDINES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCR3, CCR1, CCR4 HTT 4800/4885CA12 2935/4885CA1 2103/4885

“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.