SCHEMBL10132181

SCHEMBL10132181

Cc1cc(F)cc(C(=O)NCC(=O)NC2CCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CACNA1H O95180 1/20 0.46
CCR2 P41597 8/20 0.46
RAB9A P51151 2/20 0.46
ACKR3 P25106 1/20 0.45
NPC1 O15118 1/20 0.42
TAS1R3 Q7RTX0 2/20 0.42
TAS1R1 Q7RTX1 2/20 0.42
TAS1R2 Q8TE23 2/20 0.42
GRM5 P41594 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
SCHEMBL10132184 0.87 CACNA1H (0.43) CACNA1HCCR2RAB9A
SCHEMBL10132173 0.84 CCR2 (0.59) CCR2
SCHEMBL15219382 0.81 NPC1 (0.62) RAB9AACKR3NPC1TAS1R3TAS1R1
SCHEMBL10131857 0.81 RAB9A (0.67) CCR2RAB9ANPC1GRM5
SCHEMBL10132161 0.79 RAB9A (0.53) CCR2RAB9AACKR3
SCHEMBL4285487 0.78 CACNA1I (0.58) CACNA1HRAB9AACKR3NPC1
SCHEMBL10132188 0.76 CCR2 (0.66) CCR2
SCHEMBL15631007 0.76 KDM4E (0.45) CACNA1HRAB9A
SCHEMBL12093453 0.74 CCR2 (0.60) CCR2RAB9ANPC1
SCHEMBL10131753 0.74 CCR2 (0.56) CCR2RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 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-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 CACNA1H 4317/4885CCR2 1/4885RAB9A 4177/4885

“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.