SCHEMBL1345700

SCHEMBL1345700

NC(=O)c1cccc(-c2ccc(CNCc3ccc(OC(F)(F)F)cc3)cc2)c1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 1/20 0.54
ABL1 P00519 7/20 0.53
BCR P11274 3/20 0.53
KDM4E B2RXH2 1/20 0.53
MAPT P10636 1/20 0.53
MAPK1 P28482 1/20 0.53
RIPK1 Q13546 1/20 0.50
PPARA Q07869 1/20 0.49
F9 P00740 1/20 0.46
VNN1 O95497 1/20 0.46
FAAH O00519 1/20 0.46
MRGPRX4 Q96LA9 2/20 0.46
CNR1 P21554 1/20 0.45
NR3C2 P08235 1/20 0.44
DYRK1A Q13627 1/20 0.44

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
SCHEMBL1347734 0.92 RIPK1 (0.57) HTR2CABL1BCRKDM4EMAPT
Hydrochloric Acid SCHEMBL3341576 0.91 RIPK1 (0.56) HTR2CABL1BCRKDM4EMAPT
SCHEMBL3721809 0.89 ABL1 (0.62) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL13335599 0.85 CNR1 (0.44) ABL1BCRKDM4EMAPTMAPK1
Hydrochloric Acid SCHEMBL3341690 0.85 KDM4E (0.43) ABL1BCRKDM4EMAPTMAPK1
SCHEMBL1348553 0.84 DHODH (0.60) PPARAVNN1CNR1NR3C2
SCHEMBL1345554 0.82 DPP4 (0.52) PPARAFAAHMRGPRX4CNR1NR3C2
SCHEMBL1347900 0.82 CNR1 (0.55) FAAHCNR1NR3C2
SCHEMBL3339798 0.82 DHODH (0.51) VNN1CNR1NR3C2
Hydrochloric Acid SCHEMBL3339664 0.81 DPP4 (0.51) PPARAFAAHMRGPRX4CNR1NR3C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US claimed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-8063247-B2 Bicyclic aryl and heteroaryl receptor modulators PROSIDION LIMITED (GB) 2011-11-22 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 US disclosed
US-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS PROSIDION LIMITED (GB) 2010-10-21 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-20100267780-A1 BICYCLIC ARYL AND HETEROARYL RECEPTOR MODULATORS OPRM1, OPRL1, OPRD1 HTR2C 99/4885ABL1 2159/4885BCR 2689/4885

“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.