SCHEMBL2993483

SCHEMBL2993483

O=C(NC1CCC2(CC1CO)OCCO2)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.46
GAA P10253 1/20 0.46
CPB1 P15086 2/20 0.46
TSHR P16473 1/20 0.45
KDM1A O60341 1/20 0.42
MAOB P27338 1/20 0.42
EPHX1 P07099 1/20 0.42
CTSB P07858 3/20 0.41
CTSK P43235 3/20 0.41
CTSL P07711 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CTSS P25774 2/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL2993479 1.00 ALDH1A1 (0.46) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL4464599 1.00 ALDH1A1 (0.46) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL2993481 1.00 ALDH1A1 (0.46) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL4464606 1.00 ALDH1A1 (0.46) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL4474785 0.92 ALDH1A1 (0.46) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL13815948 0.92 ALDH1A1 (0.46) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL12096431 0.90 ALDH1A1 (0.49) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL4083850 0.90 ALDH1A1 (0.49) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL4270200 0.90 ALDH1A1 (0.49) ALDH1A1GAACPB1TSHRKDM1A
SCHEMBL4270198 0.90 ALDH1A1 (0.49) ALDH1A1GAACPB1TSHRKDM1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1620391-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2014-01-15 EP 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
EP-1606255-B1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL MYERS SQUIBB CO (US) 2009-11-11 EP disclosed
EP-2098508-A1 Cyclic derivatives as modulators of chemokine receptor activity Bristol-Myers Squibb Company (US) 2009-09-09 EP disclosed
US-7378409-B2 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-27 US disclosed
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-15 US disclosed
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB COMPANY 2008-05-08 US disclosed
US-7338947-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB CO. (US) 2008-03-04 US disclosed
US-7291615-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-11-06 US disclosed
US-7183270-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2007-02-27 US disclosed
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CHERNEY ROBERT J 2007-02-08 US disclosed
US-7087604-B2 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2006-08-08 US disclosed
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CHERNEY ROBERT J 2006-06-22 US disclosed
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2005-03-10 US disclosed
US-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-11-25 US disclosed
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2004-09-23 US disclosed
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB COMPANY 2003-11-20 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 (8 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-20040235836-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 ALDH1A1 1095/4885GAA 4566/4885CPB1 847/4885
US-20080114052-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 ALDH1A1 1195/4885GAA 4521/4885CPB1 884/4885
US-20040186140-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCL2 ALDH1A1 1039/4885GAA 4563/4885CPB1 925/4885
US-20050054626-A1 Substituted cycloalkylamine derivatives as modulators of chemokine receptor activity CCL11, CCR1, CCR2 ALDH1A1 827/4885GAA 4005/4885CPB1 764/4885
US-20060135503-A1 Cyclic derivatives as modulators of chemokine receptors activity CCL11, CCR1, CCL2 ALDH1A1 1022/4885GAA 4840/4885CPB1 805/4885
US-20070032541-A1 Cyclic derivatives as modulators of chemokine receptor activity CCL11, CCL2, CCR1 ALDH1A1 1195/4885GAA 4521/4885CPB1 884/4885
US-20080108678-A1 CYCLIC DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY CCL11, CCL2, CCR1 ALDH1A1 1345/4885GAA 4561/4885CPB1 823/4885
US-20030216434-A1 Cyclic derivatives as modulators of chemokine receptor activity CCR1, CCL11, CXCR1 ALDH1A1 948/4885GAA 4810/4885CPB1 760/4885

“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.