SCHEMBL14627615

SCHEMBL14627615

NC(c1ccccc1)C(N)[C@@H]1C=CC=CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.45
F2 P00734 1/20 0.35
CYP3A4 P08684 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
IDO1 P14902 2/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL13077266 1.00 DPP4 (0.45) DPP4F2CYP3A4CYP1A2CYP2D6
SCHEMBL3469048 1.00 DPP4 (0.45) DPP4F2CYP3A4CYP1A2CYP2D6
SCHEMBL21554360 0.85 DPP4 (0.41) DPP4F2CYP3A4CYP1A2CYP2D6
SCHEMBL12199461 0.84 CYP3A4 (0.38) DPP4F2CYP3A4CYP1A2CYP2D6
SCHEMBL2738406 0.83 KDM4E (0.43) DPP4F2
SCHEMBL21165081 0.76 EPHX1 (0.38) CYP3A4CYP1A2CYP2D6TSHRMAPK1
SCHEMBL14479727 0.76 SIGMAR1 (0.34) SIGMAR1
SCHEMBL20311848 0.76 AOC3 (0.33) CYP3A4CYP1A2TSHRHSD17B10
SCHEMBL18726338 0.74 CYP2D6 (0.35) DPP4CYP3A4CYP1A2CYP2D6TSHR
SCHEMBL5948196 0.73 HRH1 (0.43) CYP3A4CYP1A2CYP2D6TSHRSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010695-A1 Diphosphines, preparation and uses thereof CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (FR) 2007-01-11 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-20070010695-A1 Diphosphines, preparation and uses thereof MPI, ITPA, DCPS DPP4 3543/4885F2 988/4885CYP3A4 1000/4885

“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.