SCHEMBL12410231

SCHEMBL12410231

C[C@H](NCC1CC1)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.61
GAA P10253 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MAN2A1 Q16706 1/20 0.54
MAN1B1 Q9UKM7 1/20 0.54
CYP3A4 P08684 2/20 0.53
CHRM2 P08172 1/20 0.53
HTR1A P08908 1/20 0.53
ADRA2A P08913 1/20 0.53
ADORA3 P0DMS8 1/20 0.53
CHRM1 P11229 1/20 0.53
SMPD1 P17405 1/20 0.53
DRD1 P21728 1/20 0.53
TBXA2R P21731 1/20 0.53
SLC6A2 P23975 1/20 0.53
SLC6A4 P31645 1/20 0.53
ADRA1A P35348 1/20 0.53
OPRM1 P35372 1/20 0.53
DRD3 P35462 1/20 0.53
CASR P41180 1/20 0.53

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
SCHEMBL3681375 0.91 GAA (0.61) SIGMAR1GAAL3MBTL1MAN2A1MAN1B1
SCHEMBL3681373 0.91 GAA (0.61) SIGMAR1GAAL3MBTL1MAN2A1MAN1B1
SCHEMBL28260287 0.82 MTOR (0.56) SIGMAR1GAAL3MBTL1CYP3A4SLC6A4
SCHEMBL8794354 0.81 SIGMAR1 (0.45) SIGMAR1GAAL3MBTL1MAN2A1MAN1B1
SCHEMBL3044650 0.81 SIGMAR1 (0.45) SIGMAR1GAAL3MBTL1MAN2A1MAN1B1
SCHEMBL8222529 0.79 POLB (0.44) SIGMAR1GAAL3MBTL1SLC6A2SLC6A4
SCHEMBL28555177 0.78 ANPEP (0.47) SIGMAR1ALDH1A1APAF1POLBANPEP
Hydrochloric Acid SCHEMBL7624461 0.77 SIGMAR1 (0.49) SIGMAR1GAAL3MBTL1CYP3A4CYP2D6
SCHEMBL27099588 0.77 HTR2C (0.49) SIGMAR1GAAL3MBTL1MAN2A1MAN1B1
SCHEMBL24406703 0.76 CYP3A4 (0.76) SIGMAR1CYP3A4CHRM2HTR1AADRA2A

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-8372847-B2 Pyrazinone modulator of corticotropin-releasing factor receptor activity BRISTOL-MYERS SQUIBB COMPANY (US) 2013-02-12 US disclosed
US-20110166160-A1 Pyrazinone Modulator of Corticotropin-Releasing Factor Receptor Activity BRISTOL-MYERS SQUIBB COMPANY 2011-07-07 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-20110166160-A1 Pyrazinone Modulator of Corticotropin-Releasing Factor Receptor Activity CRH, CRHR1, CRHR2 SIGMAR1 202/4885GAA 4565/4885L3MBTL1 4861/4885

“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.