SCHEMBL3709096

SCHEMBL3709096

CC(=O)NCCc1cnc(/N=N/c2ccc(Br)cc2)[nH]1

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 1/20 0.44
▸ QPCTL Q9NXS2 1/20 0.44
▸ MTNR1A P48039 10/20 0.43
▸ MTNR1B P49286 10/20 0.43
▸ HTT P42858 1/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ NQO2 P16083 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
SCHEMBL3709099 1.00 QPCT (0.44) QPCTQPCTLMTNR1AMTNR1BHTT
SCHEMBL31457424 0.78 GLB1 (0.42) HTTSMN1; SMN2
SCHEMBL15463276 0.76 HDAC1 (0.37) QPCTQPCTLMTNR1AMTNR1BKDM4E
SCHEMBL31457421 0.76 GLB1 (0.38) HTTSMN1; SMN2
SCHEMBL13801487 0.73 MAPT (0.37) HTTSMN1; SMN2
SCHEMBL3696353 0.72 QPCT (0.55) QPCTQPCTLMTNR1AMTNR1BHTT
SCHEMBL553085 0.68 KDM4E (0.70) KDM4ESMN1; SMN2HSD17B10
SCHEMBL166146 0.68 ACACB (0.54) QPCTQPCTLMTNR1AMTNR1BKDM4E
SCHEMBL13840691 0.67 NQO2 (0.41) MTNR1AMTNR1BNQO2
SCHEMBL15526231 0.64 MTNR1A (0.50) MTNR1AMTNR1BKDM4ESMN1; SMN2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS COATS STEVEN J (US) 2014-02-06 — — US disclosed
US-8324380-B2 Amino-heteroaryl-containing prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2012-12-04 — — US disclosed
EP-2215067-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS Janssen Pharmaceutica, N.V. (BE) 2010-08-11 — — EP disclosed
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA NV (BE) 2009-06-25 — — US disclosed
WO-2009058653-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 — — WO 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-20140038968-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR QPCT 487/4885QPCTL 535/4885MTNR1A 45/4885
US-20090163505-A1 AMINO-HETEROARYL-CONTAINING PROKINETICIN 1 RECEPTOR ANTAGONISTS PROKR1, PROKR2, GIPR QPCT 487/4885QPCTL 535/4885MTNR1A 45/4885

“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.

Send feedback