SCHEMBL2385456

SCHEMBL2385456

NC(=O)N1CCNCC1c1cc(C(F)(F)F)cc(C(F)(F)F)c1

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 14/20 0.53
ADRB1 P08588 1/20 0.41
HTR2A P28223 4/20 0.40
HTR2C P28335 4/20 0.40
HTR2B P41595 2/20 0.39

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
SCHEMBL2384221 0.87 HTR1A (0.47) TACR1HTR2AHTR2CHTR2B
SCHEMBL20556025 0.82 DPP4 (0.41) TACR1HTR2AHTR2CHTR2B
SCHEMBL2386590 0.79 HTR2C (0.40) ADRB1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL28861579 0.76 PTGS1 (0.48)
SCHEMBL2384859 0.76 HTR2A (0.45) TACR1HTR2AHTR2CHTR2B
SCHEMBL3911430 0.76 RIPK1 (0.47) TACR1HTR2AHTR2CHTR2B
SCHEMBL2386164 0.76 DPP4 (0.47) HTR2AHTR2CHTR2B
SCHEMBL2385210 0.76 TACR1 (0.47) TACR1ADRB1HTR2AHTR2CHTR2B
Hydrochloric Acid SCHEMBL28230853 0.74 MAOB (0.57)
Hydrochloric Acid SCHEMBL28773228 0.74 DPP4 (0.46) HTR2AHTR2CHTR2B

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-8013156-B2 Tie-2 modulators and methods of use EXELIXIS, INC. (US) 2011-09-06 US disclosed
US-20070275952-A1 Tie-2 Modulators and Methods of Use EXELIXIS, INC. (US) 2007-11-29 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-20070275952-A1 Tie-2 Modulators and Methods of Use TIE1, TEK, KDR TACR1 2218/4885ADRB1 1934/4885HTR2A 2212/4885

“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.