SCHEMBL565227

SCHEMBL565227

COC(NC(C)CC(=O)N(Cc1ccc2c(c1)OCCCO2)CC(C)C)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.41
POLB P06746 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 1/20 0.41
TSHR P16473 3/20 0.39
MAPT P10636 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 4/20 0.38
USP2 O75604 1/20 0.37
PKM P14618 1/20 0.37
PAX8 Q06710 1/20 0.37
KLF5 Q13887 1/20 0.37
BMP1 P13497 1/20 0.37
GAA P10253 1/20 0.37
MEN1 O00255 1/20 0.37

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
SCHEMBL565005 0.83 ALDH1A1 (0.44) SMN1; SMN2POLBNPC1RAB9ATSHR
SCHEMBL564825 0.82 SMN1; SMN2 (0.43) SMN1; SMN2POLBNPC1RAB9ATSHR
SCHEMBL565226 0.79 ALDH1A1 (0.51) NPC1RAB9ATSHRMAPTHPGD
SCHEMBL565214 0.78 TSHR (0.42) SMN1; SMN2POLBNPC1RAB9ATSHR
SCHEMBL565373 0.78 TAAR1 (0.41) POLBTSHRMAPTHPGDALDH1A1
SCHEMBL565473 0.76 GAA (0.43) SMN1; SMN2POLBNPC1RAB9ATSHR
SCHEMBL565166 0.75 RAB9A (0.45) SMN1; SMN2POLBNPC1RAB9ATSHR
SCHEMBL565270 0.74 TSHR (0.50) SMN1; SMN2POLBNPC1RAB9ATSHR
SCHEMBL565643 0.73 ALDH1A1 (0.45) SMN1; SMN2POLBNPC1RAB9ATSHR
SCHEMBL10119879 0.73 ALDH1A1 (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 2 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-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 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.