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SCHEMBL565163

SCHEMBL565163

COc1c(CNCC(C)C(=O)N(Cc2cc(Cl)c3c(c2)OCCCO3)CC(C)C)cccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PROKR2 Q8NFJ6 5/20 0.65
▸ KMT2A Q03164 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ ATM Q13315 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ CYP2D6 P10635 1/20 0.32
▸ CYP2C19 P33261 1/20 0.32
▸ TAAR1 Q96RJ0 1/20 0.32
▸ POLB P06746 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ MAPK8 P45983 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
SCHEMBL564991 0.91 PROKR2 (0.68) PROKR2SMN1; SMN2NPC1RAB9ACYP3A4
SCHEMBL565413 0.89 PROKR2 (0.69) PROKR2KMT2AALDH1A1MEN1SMN1; SMN2
SCHEMBL565072 0.88 PROKR2 (0.70) PROKR2KMT2AALDH1A1MEN1HPGD
SCHEMBL564977 0.85 PROKR2 (0.63) PROKR2KMT2AALDH1A1MEN1CYP2D6
SCHEMBL565781 0.85 PROKR2 (0.69) PROKR2KMT2AALDH1A1MEN1HPGD
SCHEMBL564884 0.85 PROKR2 (0.69) PROKR2KMT2AALDH1A1MEN1HPGD
SCHEMBL10107178 0.85 PROKR2 (0.60) PROKR2KMT2AALDH1A1MEN1HPGD
SCHEMBL564206 0.85 PROKR2 (0.75) PROKR2CYP3A4CYP2D6MAPK8
SCHEMBL565414 0.84 PROKR2 (0.74) PROKR2KMT2AALDH1A1TDP1NPC1
SCHEMBL565571 0.84 PROKR2 (0.60) PROKR2KMT2AALDH1A1MEN1POLB

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 6 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
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 PROKR2 1/4885KMT2A 4644/4885ALDH1A1 4725/4885

“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.