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Sugi Predict / Compounds / SCHEMBL565268

SCHEMBL565268

SCHEMBL565268

CC(C)CN(Cc1cc(Cl)c2c(c1)OCCCO2)C(=O)C(C)CNCc1ccccc1N

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PROKR2 Q8NFJ6 5/20 0.71
▸ MAPK8 P45983 1/20 0.36
▸ NPC1 O15118 5/20 0.34
▸ RAB9A P51151 5/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ HDAC4 P56524 2/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34
▸ ALDH1A1 P00352 4/20 0.33
▸ KDM4E B2RXH2 2/20 0.32
▸ TSHR P16473 2/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP3A4 P08684 1/20 0.31
▸ CYP2C9 P11712 1/20 0.31
▸ MAPK1 P28482 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
SCHEMBL565414 0.93 PROKR2 (0.74) PROKR2MAPK8NPC1RAB9AHDAC4
SCHEMBL565130 0.92 PROKR2 (0.73) PROKR2MAPK8NPC1RAB9ASMN1; SMN2
SCHEMBL565287 0.91 PROKR2 (0.72) PROKR2MAPK8NPC1RAB9AHDAC4
SCHEMBL565072 0.91 PROKR2 (0.70) PROKR2MAPK8NPC1RAB9ASMN1; SMN2
SCHEMBL565681 0.90 PROKR2 (0.71) PROKR2MAPK8NPC1RAB9ASMN1; SMN2
SCHEMBL565032 0.90 PROKR2 (0.71) PROKR2MAPK8NPC1SMN1; SMN2HDAC4
SCHEMBL564206 0.90 PROKR2 (0.75) PROKR2MAPK8CYP3A4CYP2C9
SCHEMBL565109 0.89 PROKR2 (0.69) PROKR2MAPK8NPC1RAB9ASMN1; SMN2
SCHEMBL565524 0.89 PROKR2 (0.69) PROKR2MAPK8NPC1RAB9ASMN1; SMN2
SCHEMBL15693909 0.89 PROKR2 (0.69) PROKR2MAPK8NPC1RAB9ASMN1; SMN2

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 7 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
WO-2010077976-A2 PROKINETICIN RECEPTOR ANTAGONISTS AND USES THEREOF THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2010-07-08 — — 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 (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 1/4885MAPK8 1270/4885NPC1 3472/4885

“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.