SCHEMBL6180457

SCHEMBL6180457

CN1CCOc2cc(C(=O)NC(=O)Nc3ccc(F)c(C(F)(F)F)c3)ccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR2 P41597 4/20 0.49
CCR5 P51681 1/20 0.49
PTGER3 P43115 1/20 0.44
AR P10275 2/20 0.43
MAOB P27338 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
THRB P10828 1/20 0.43
BRAF P15056 2/20 0.42
KDR P35968 1/20 0.42
S1PR1 P21453 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HTT P42858 1/20 0.42
RECQL P46063 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
WDR5 P61964 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 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
SCHEMBL5496367 0.84 CCR2 (0.53) CCR2PTGER3ARSMN1; SMN2TP53
SCHEMBL5493355 0.81 CCR2 (0.63) CCR2PTGER3MAOBSMN1; SMN2MAPT
SCHEMBL5489790 0.81 CCR2 (0.64) CCR2PTGER3MAOBSMN1; SMN2MAPT
SCHEMBL5491143 0.79 MAOB (0.56) CCR2PTGER3MAOBSMN1; SMN2TP53
SCHEMBL6179586 0.76 PTGER3 (0.49) CCR2PTGER3SMN1; SMN2MAPTALDH1A1
SCHEMBL14364237 0.74 CCR2 (0.64) CCR2PTGER3MAOBSMN1; SMN2MAPT
SCHEMBL8773512 0.74 PTGER3 (0.56) PTGER3MAOBSMN1; SMN2TP53MAPT
SCHEMBL6125954 0.74 PTGER3 (0.56) PTGER3MAOBSMN1; SMN2TP53MAPT
SCHEMBL5778627 0.73 CCR2 (0.53) CCR2CCR5ARMAOBSMN1; SMN2
SCHEMBL5780051 0.73 CCR2 (0.53) CCR2CCR5ARMAOBTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1363897-B1 ANTAGONISTS OF MCP-1 FUNCTION AND METHODS OF USE THEREOF TELIK INC (US) 2005-12-21 EP claimed
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof LABORDE EDGARDO (US) 2005-03-10 US claimed
US-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof SANWA KAGAKU KENKYUSHO CO., LTD. (JP) 2003-06-05 US claimed
US-6809113-B2 FOR THERAPY OF ARTHRITIS, ASTHMA, ATHEROSCLEROSIS, DIABETIC NEPHROPATHY, INFLAMMATORY BOWEL DISEASE, CROHN'S DISEASE, MULTIPLE SCLEROSIS, NEPHRITIS, PANCREATITIS, PULMONARY FIBROSIS, PSORIASIS, RESTENOSIS TRANSPLANT REJECTION TELIK, INC. 2004-10-26 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 (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-20030105085-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885CCR5 5/4885PTGER3 496/4885
US-20050054668-A1 Antagonists of MCP-1 function and methods of use thereof CCR2, CCR1, CCL2 CCR2 1/4885CCR5 5/4885PTGER3 502/4885

“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.