SCHEMBL2320758

SCHEMBL2320758

C=CC[C@H](N[C@H](CO)c1ccccc1)c1ccccc1Br

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.46
CYP2C19 P33261 1/20 0.42
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
ALOX15 P16050 1/20 0.42
HSD17B10 Q99714 1/20 0.42
ATM Q13315 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 2/20 0.35
TDO2 P48775 2/20 0.35
RIPK1 Q13546 1/20 0.33
EGFR P00533 2/20 0.33
TSHR P16473 1/20 0.33
MAN2A1 Q16706 1/20 0.32
MAN1B1 Q9UKM7 1/20 0.32
CYP26A1 O43174 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
EPHX2 P34913 1/20 0.32

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
SCHEMBL2320767 1.00 SMN1; SMN2 (0.46) SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL15957077 0.77 SMN1; SMN2 (0.65) SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL2321113 0.75 CYP26A1 (0.43) SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL10526965 0.74 RIPK1 (0.49) KDM4EL3MBTL1RIPK1MAN2A1MAN1B1
SCHEMBL31146140 0.73 SMN1; SMN2 (0.41) SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL7206110 0.71 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL7172042 0.71 SMN1; SMN2 (0.51) SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL13458399 0.69 SLC18A3 (0.39) SMN1; SMN2CYP2C19ALDH1A1ALOX15IDO1
SCHEMBL11677763 0.68 SMN1; SMN2 (0.54) SMN1; SMN2CYP2C19ALDH1A1KDM4EMAPT
SCHEMBL1134347 0.68 IDO1 (0.47) CYP2C19ALDH1A1ALOX15IDO1TDO2

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 10 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-8188123-B2 (Pyrrolidin-2-yl)phenyl derivatives MERCK SHARP & DOHME B.V. (NL) 2012-05-29 US 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
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
US-20100113493-A1 (PYRROLIDIN-2-YL)PHENYL DERIVATIVES N.V. ORGANON 2010-05-06 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 SMN1; SMN2 1710/4885CYP2C19 772/4885ALDH1A1 1934/4885

“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.