SCHEMBL565784

SCHEMBL565784

CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.55
PROKR2 Q8NFJ6 4/20 0.54
KMT2A Q03164 2/20 0.50
SSTR1 P30872 1/20 0.49
SSTR3 P32745 1/20 0.49
ALDH1A1 P00352 4/20 0.45
MEN1 O00255 1/20 0.44
HTT P42858 1/20 0.44
MAPT P10636 1/20 0.43
MAPK1 P28482 1/20 0.43
RAB9A P51151 1/20 0.43
POLB P06746 1/20 0.42
KDM2B Q8NHM5 1/20 0.41

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
SCHEMBL565579 0.92 KDM4E (0.54) KDM4EPROKR2KMT2ASSTR1SSTR3
SCHEMBL10107586 0.92 KDM4E (0.54) KDM4EPROKR2KMT2ASSTR1SSTR3
SCHEMBL564951 0.89 KDM4E (0.59) KDM4EPROKR2KMT2AALDH1A1MEN1
SCHEMBL565601 0.89 KDM4E (0.59) KDM4EPROKR2KMT2AALDH1A1MEN1
SCHEMBL565028 0.88 PROKR2 (0.57) KDM4EPROKR2KMT2ASSTR1SSTR3
SCHEMBL10106736 0.88 PROKR2 (0.57) KDM4EPROKR2KMT2ASSTR1SSTR3
SCHEMBL565159 0.87 PROKR2 (0.59) KDM4EPROKR2KMT2ASSTR1SSTR3
SCHEMBL565506 0.87 PROKR2 (0.66) KDM4EPROKR2KMT2ASSTR1SSTR3
SCHEMBL10106578 0.85 PROKR2 (0.58) KDM4EPROKR2KMT2AHTTPOLB
SCHEMBL565459 0.85 PROKR2 (0.58) KDM4EPROKR2KMT2AHTTPOLB

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-8722896-B2 Prokineticin receptor antagonists and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-13 US disclosed
US-8722896-B2 Prokineticin receptor antagonists and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-13 US disclosed
US-8722896-B2 Prokineticin receptor antagonists and uses thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2014-05-13 US disclosed
US-20120035149-A1 Prokineticin Receptor Antagonists And Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-09 US disclosed
US-20120035149-A1 Prokineticin Receptor Antagonists And Uses Thereof THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2012-02-09 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-20120035149-A1 Prokineticin Receptor Antagonists And Uses Thereof PROKR2, PROKR1, GIPR KDM4E 4874/4885PROKR2 1/4885KMT2A 4644/4885

“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.