SCHEMBL1093763

SCHEMBL1093763

O=C(Nc1ccn2c3c(nc2c1)CCC3)c1cc2cc(F)ccc2n1Cc1cccc(F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 4/20 0.41
ECE1 P42892 6/20 0.40
MAOB P27338 1/20 0.39
ABCB1 P08183 1/20 0.39
CCR2 P41597 1/20 0.38
PPARG P37231 3/20 0.37
PTGDR2 Q9Y5Y4 2/20 0.37
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
FABP3 P05413 1/20 0.36

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
SCHEMBL829963 0.98 F10 (0.41) F10ECE1MAOBABCB1CCR2
SCHEMBL831541 0.89 CCR2 (0.40) F10ECE1MAOBABCB1CCR2
SCHEMBL1093306 0.87 F10 (0.39) F10ECE1MAOBABCB1CCR2
SCHEMBL975576 0.84 ECE1 (0.47) F10ECE1MAOBABCB1CCR2
SCHEMBL832765 0.83 ECE1 (0.44) F10ECE1MAOBCCR2PPARG
SCHEMBL974067 0.80 ECE1 (0.47) F10ECE1MAOBABCB1CCR2
SCHEMBL977067 0.78 ECE1 (0.46) F10ECE1MAOBABCB1CCR2
SCHEMBL975637 0.78 F10 (0.43) F10ECE1MAOBABCB1CCR2
SCHEMBL1094481 0.78 F10 (0.43) F10ECE1MAOBABCB1CCR2
SCHEMBL974569 0.77 ECE1 (0.44) F10ECE1CCR2PPARGPTGDR2

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
US-8420817-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI (FR) 2013-04-16 US disclosed
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-06-28 US disclosed
US-8153796-B2 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2012-04-10 US disclosed
US-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof SANOFI-AVENTIS (FR) 2010-07-08 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-20100173929-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 F10 2203/4885ECE1 1971/4885MAOB 59/4885
US-20120165531-A1 Tricyclic N-heteroaryl-carboxamide derivatives, preparation and therapeutic use thereof ZDHHC7, CNR2, HDAC3 F10 2203/4885ECE1 1971/4885MAOB 59/4885

“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.