SCHEMBL2322690

SCHEMBL2322690

COc1cccnc1-c1ccccc1C1CCCN1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
PDCD1LG2 Q9BQ51 1/20 0.48
CD274 Q9NZQ7 1/20 0.48
CHRNB4 P30926 2/20 0.46
CHRNA3 P32297 2/20 0.46
HTR1A P08908 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A3 Q01959 2/20 0.46
HSD11B1 P28845 1/20 0.44
CCNT1 O60563 2/20 0.44
CDK9 P50750 2/20 0.44
CHRNB2 P17787 3/20 0.43
CHRNA4 P43681 3/20 0.43
KCNH2 Q12809 1/20 0.41
GLP1R P43220 1/20 0.41
CHRNA7 P36544 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL2324552 0.88 CCNT1 (0.53) MEN1KMT2APDCD1LG2CD274CHRNB4
SCHEMBL2324812 0.85 KCNH2 (0.54) MEN1KMT2APDCD1LG2CD274CHRNB4
SCHEMBL2322176 0.84 CHRNB2 (0.42) MEN1KMT2APDCD1LG2CD274HTR1A
SCHEMBL469013 0.80 MEN1 (0.65) MEN1KMT2APDCD1LG2CD274CHRNB4
SCHEMBL29589447 0.80 MEN1 (0.65) MEN1KMT2APDCD1LG2CD274CHRNB4
SCHEMBL23323077 0.80 MEN1 (0.65) MEN1KMT2APDCD1LG2CD274CHRNB4
SCHEMBL2324523 0.79 ADRA1A (0.45) MEN1KMT2APDCD1LG2CD274HTR1A
SCHEMBL2323968 0.79 ADRA1A (0.45) MEN1KMT2APDCD1LG2CD274HTR1A
SCHEMBL2323971 0.79 ADRA1A (0.45) MEN1KMT2APDCD1LG2CD274HTR1A
SCHEMBL20795353 0.78 CHRNB4 (0.56) MEN1KMT2APDCD1LG2CD274CHRNB4

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102203077-B (pyrrolidin-2-yl) phenyl derivatives for the treatment of pain MERCK SHARP & DOHME 2014-07-09 CN claimed
EP-2356105-B1 ( PYRROLIDIN-2 -YL) PHENYL DERIVATIVES FOR USE IN THE TREATMENT OF PAIN MSD OSS BV (NL) 2013-04-10 EP claimed
US-8188123-B2 (Pyrrolidin-2-yl)phenyl derivatives MERCK SHARP & DOHME B.V. (NL) 2012-05-29 US claimed
EP-2356105-A1 ( PYRROLIDIN-2 -YL) PHENYL DERIVATIVES FOR USE IN THE TREATMENT OF PAIN N.V. Organon (NL) 2011-08-17 EP claimed
WO-2010052198-A1 ( PYRROLIDIN-2 -YL) PHENYL DERIVATIVES FOR USE IN THE TREATMENT OF PAIN N.V. ORGANON (NL) 2010-05-14 WO claimed
US-20100113493-A1 (PYRROLIDIN-2-YL)PHENYL DERIVATIVES N.V. ORGANON 2010-05-06 US claimed
CN-102203077-B (pyrrolidin-2-yl) phenyl derivatives for the treatment of pain MERCK SHARP & DOHME 2014-07-09 CN disclosed
EP-2356105-B1 ( PYRROLIDIN-2 -YL) PHENYL DERIVATIVES FOR USE IN THE TREATMENT OF PAIN MSD OSS BV (NL) 2013-04-10 EP disclosed
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 MEN1 3979/4885KMT2A 4103/4885PDCD1LG2 4415/4885

“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.