Sugi Predict

Sugi Predict / Compounds / SCHEMBL564825

SCHEMBL564825

SCHEMBL564825

CC(C)CN(Cc1ccc2c(c1)OCCCO2)C(=O)CC(N)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.43
▸ POLB P06746 2/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ TSHR P16473 5/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ ALDH1A1 P00352 5/20 0.40
▸ MAPT P10636 3/20 0.40
▸ HPGD P15428 3/20 0.40
▸ GAA P10253 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ OPRM1 P35372 1/20 0.39
▸ OPRK1 P41145 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ PTGDR2 Q9Y5Y4 1/20 0.39
▸ CASP3 P42574 1/20 0.39

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
SCHEMBL565373 0.87 TAAR1 (0.41) POLBTSHRALDH1A1MAPTHPGD
SCHEMBL565214 0.87 TSHR (0.42) SMN1; SMN2POLBNPC1RAB9ATSHR
SCHEMBL565473 0.83 GAA (0.43) SMN1; SMN2POLBNPC1RAB9ATSHR
SCHEMBL565227 0.82 SMN1; SMN2 (0.41) SMN1; SMN2POLBNPC1RAB9ATSHR
SCHEMBL565005 0.82 ALDH1A1 (0.44) SMN1; SMN2POLBNPC1RAB9ATSHR
SCHEMBL10107570 0.81 PROKR2 (0.41) SMN1; SMN2POLBRAB9ATSHRALDH1A1
SCHEMBL565345 0.81 PROKR2 (0.41) SMN1; SMN2POLBRAB9ATSHRALDH1A1
SCHEMBL565096 0.81 PROKR2 (0.41) SMN1; SMN2POLBRAB9ATSHRALDH1A1
SCHEMBL565270 0.79 TSHR (0.50) SMN1; SMN2POLBNPC1RAB9ATSHR
SCHEMBL565166 0.78 RAB9A (0.45) SMN1; SMN2POLBNPC1RAB9ATSHR

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 SMN1; SMN2 2106/4885POLB 3608/4885NPC1 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.