SCHEMBL3313722

SCHEMBL3313722

CC(C)(C)[C@@]1(c2ccccc2Br)CCCN1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.35
HCRTR1 O43613 2/20 0.35
HCRTR2 O43614 2/20 0.35
ALDH1A1 P00352 1/20 0.33
TSHR P16473 1/20 0.33
HSD11B1 P28845 1/20 0.33

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
SCHEMBL3312128 1.00 NPSR1 (0.35) NPSR1HCRTR1HCRTR2ALDH1A1TSHR
SCHEMBL3312135 1.00 NPSR1 (0.35) NPSR1HCRTR1HCRTR2ALDH1A1TSHR
SCHEMBL22688968 0.73 OPRM1 (0.38) NPSR1ALDH1A1
SCHEMBL29150660 0.73 CD44 (0.36)
SCHEMBL21619228 0.72 HSD11B1 (0.39) HSD11B1
SCHEMBL5527373 0.72 OPRD1 (0.46)
SCHEMBL20162423 0.71 PIM1 (0.42)
SCHEMBL17007539 0.71 SMN1; SMN2 (0.43) ALDH1A1TSHR
SCHEMBL17007540 0.71 LMNA (0.40) HCRTR1HCRTR2ALDH1A1
SCHEMBL475036 0.70 HCRTR1 (0.32) HCRTR1HCRTR2

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 3 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
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 NPSR1 74/4885HCRTR1 227/4885HCRTR2 275/4885

“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.