SCHEMBL2331441

SCHEMBL2331441

C=CCC(NC(=O)OC(C)(C)C)c1ccccc1Br

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.45
CTSS P25774 5/20 0.44
CTSK P43235 4/20 0.44
HTT P42858 2/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
ATM Q13315 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 1/20 0.38
PPARG P37231 1/20 0.37
PPARA Q07869 1/20 0.37
SYK P43405 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
SCHEMBL2331444 1.00 MAPT (0.45) MAPTCTSSCTSKHTTNPC1
SCHEMBL24198500 0.84 CTSS (0.47) CTSSCTSKHTTNPC1RAB9A
SCHEMBL18555840 0.82 MAPT (0.39) MAPTCTSSCTSKNPC1RAB9A
SCHEMBL19744343 0.82 CYP26A1 (0.53) CTSSCTSKHTTNPC1RAB9A
SCHEMBL19744342 0.82 CYP26A1 (0.53) CTSSCTSKHTTNPC1RAB9A
SCHEMBL27886474 0.81 CTSS (0.45) MAPTCTSSCTSKHTTNPC1
SCHEMBL28293920 0.81 CTSS (0.45) MAPTCTSSCTSKHTTNPC1
SCHEMBL28265926 0.81 CTSS (0.45) MAPTCTSSCTSKHTTNPC1
SCHEMBL2325180 0.80 CTSK (0.44) MAPTCTSSCTSKHTTNPC1
SCHEMBL2325177 0.80 CTSK (0.44) MAPTCTSSCTSKHTTNPC1

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
EP-2356105-B1 ( PYRROLIDIN-2 -YL) PHENYL DERIVATIVES FOR USE IN THE TREATMENT OF PAIN MSD OSS BV (NL) 2013-04-10 EP disclosed
US-8188123-B2 (Pyrrolidin-2-yl)phenyl derivatives MERCK SHARP & DOHME B.V. (NL) 2012-05-29 US disclosed
EP-2356105-A1 ( PYRROLIDIN-2 -YL) PHENYL DERIVATIVES FOR USE IN THE TREATMENT OF PAIN N.V. Organon (NL) 2011-08-17 EP disclosed
WO-2010052198-A1 ( PYRROLIDIN-2 -YL) PHENYL DERIVATIVES FOR USE IN THE TREATMENT OF PAIN N.V. ORGANON (NL) 2010-05-14 WO disclosed
US-20100113493-A1 (PYRROLIDIN-2-YL)PHENYL DERIVATIVES N.V. ORGANON 2010-05-06 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-20100113493-A1 (PYRROLIDIN-2-YL)PHENYL DERIVATIVES CNR1, CNR2, TRPV1 MAPT 3040/4885CTSS 1474/4885CTSK 2239/4885

“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.