SCHEMBL3080138

SCHEMBL3080138

COc1cc(N2CCN(C(=O)Cn3c(=O)oc4cc(Cl)ccc43)C(C)C2)c(F)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.48
KMT2A Q03164 3/20 0.48
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CXCR3 P49682 2/20 0.46
MAPT P10636 1/20 0.45
OPRK1 P41145 5/20 0.44
POLB P06746 4/20 0.44
RAB9A P51151 1/20 0.44
CCR1 P32246 3/20 0.43
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
MAPK1 P28482 1/20 0.41
KCNH2 Q12809 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
SCHEMBL3080134 1.00 MEN1 (0.48) MEN1KMT2ALMNATP53CXCR3
SCHEMBL3077691 0.88 KMT2A (0.61) MEN1KMT2ALMNATP53MAPT
SCHEMBL3067347 0.86 CCR1 (0.54) MEN1KMT2ALMNATP53CXCR3
SCHEMBL3062839 0.86 CCR1 (0.54) MEN1KMT2ALMNATP53CXCR3
SCHEMBL12765552 0.78 CCR1 (0.47) LMNAMAPTCCR1
SCHEMBL1639548 0.78 CCR1 (0.47) MEN1KMT2ALMNAMAPTCCR1
SCHEMBL1639550 0.78 CCR1 (0.47) MEN1KMT2ALMNAMAPTCCR1
SCHEMBL14724209 0.76 CCR1 (0.45) LMNAMAPTCCR1
SCHEMBL13869125 0.74 CCR1 (0.49) CXCR3POLBRAB9ACCR1KCNH2
SCHEMBL4811812 0.74 CXCR3 (0.50) LMNACXCR3MAPTCCR1KCNH2

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-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 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-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CCR1, CCR3, CCR4 MEN1 3626/4885KMT2A 4350/4885LMNA 2708/4885

“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.