SCHEMBL13157967

SCHEMBL13157967

O=C(c1ccc(Cl)cc1Nc1ccc(Cl)cc1)N1C[C@@H](O)[C@H](N2CCN(Cc3ccc(Cl)cc3)CC2)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 2/20 0.40
CACNA1G O43497 2/20 0.39
PTGS2 P35354 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
NLRP3 Q96P20 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA9 Q16790 1/20 0.38
CCR1 P32246 1/20 0.38
GPR183 P32249 1/20 0.38
CXCR3 P49682 1/20 0.38
MLNR O43193 1/20 0.38
CYP3A4 P08684 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL3100888 1.00 FAAH (0.40) FAAHCACNA1GPTGS2MAPK1SMN1; SMN2
SCHEMBL3099993 0.95 FAAH (0.47) FAAHSMN1; SMN2NLRP3MAPTATM
SCHEMBL13157832 0.95 FAAH (0.47) FAAHSMN1; SMN2NLRP3MAPTATM
SCHEMBL3107837 0.89 TP53BP1 (0.39) FAAHCACNA1GPTGS2CCR1GPR183
SCHEMBL13157813 0.89 TP53BP1 (0.39) FAAHCACNA1GPTGS2CCR1GPR183
SCHEMBL3101069 0.88 FAAH (0.48) FAAHSMN1; SMN2NLRP3MLNRCYP3A4
SCHEMBL13157682 0.88 FAAH (0.48) FAAHSMN1; SMN2NLRP3MLNRCYP3A4
SCHEMBL13157966 0.86 CHRM2 (0.45) MAPT
SCHEMBL3105108 0.86 CHRM2 (0.45) MAPT
SCHEMBL13157799 0.85 L3MBTL1 (0.45) FAAHSMN1; SMN2CCR1ATMTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 US disclosed
US-7635698-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-12-22 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 (1 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-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CXCR2 FAAH 1368/4885CACNA1G 4549/4885PTGS2 614/4885

“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.