SCHEMBL4804839

SCHEMBL4804839

Nc1c(Cl)cc(C[CH]C(=O)N2CCC(NCC3CC3)CC2)cc1C(F)(F)F

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 5/20 0.39
NPY2R P49146 7/20 0.39
ADRB2 P07550 2/20 0.38
OPRL1 P41146 4/20 0.36
EPHX2 P34913 1/20 0.36
RAMP1 O60894 1/20 0.35
CALCRL Q16602 1/20 0.35

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
SCHEMBL4849662 0.80 RAMP1 (0.41) ADRB2EPHX2RAMP1CALCRL
SCHEMBL5248989 0.80 RAMP1 (0.42) TEAD1ADRB2OPRL1EPHX2RAMP1
SCHEMBL4718767 0.77 ADRB2 (0.37) ADRB2EPHX2RAMP1CALCRL
SCHEMBL4720727 0.77 ADRB2 (0.37) ADRB2EPHX2RAMP1CALCRL
SCHEMBL4798589 0.76 TEAD1 (0.36) TEAD1ADRB2EPHX2RAMP1CALCRL
SCHEMBL5326014 0.71 ACACB (0.35) TEAD1RAMP1CALCRL
SCHEMBL4720816 0.69 RAMP1 (0.35) ADRB2RAMP1CALCRL
SCHEMBL4763044 0.66 NOTUM (0.34)
SCHEMBL5250813 0.65 CCR3 (0.38)
SCHEMBL4804847 0.65 OPRD1 (0.43) ADRB2EPHX2RAMP1CALCRL

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-7439237-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-10-21 US disclosed
US-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-10-11 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-20070238715-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA TEAD1 1640/4885NPY2R 20/4885ADRB2 63/4885

“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.