SCHEMBL4943364

SCHEMBL4943364

CC(=O)Nc1ccc(OCC(O)CN)cc1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.68
KMT2A Q03164 4/20 0.68
CYP1A2 P05177 2/20 0.68
TSHR P16473 2/20 0.68
ADRB2 P07550 2/20 0.68
ADRB1 P08588 2/20 0.68
ADRB3 P13945 2/20 0.68
CYP2D6 P10635 2/20 0.68
CYP2C19 P33261 2/20 0.68
OPRK1 P41145 1/20 0.68
ALOX15 P16050 1/20 0.68
MAPT P10636 7/20 0.61
LMNA P02545 5/20 0.60
ALDH1A1 P00352 2/20 0.60
HTT P42858 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
RAB9A P51151 1/20 0.60
TDP1 Q9NUW8 1/20 0.59
HSD17B10 Q99714 1/20 0.58
GAA P10253 2/20 0.57

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
SCHEMBL4943368 1.00 MEN1 (0.68) MEN1KMT2ACYP1A2TSHRADRB2
Hydrochloric Acid SCHEMBL10604050 0.98 MEN1 (0.67) MEN1KMT2ACYP1A2TSHRADRB2
SCHEMBL9585233 0.86 MEN1 (0.70) MEN1KMT2ACYP1A2TSHRADRB2
SCHEMBL9661011 0.85 MAPT (0.78) MEN1KMT2ACYP1A2TSHRADRB2
SCHEMBL9711829 0.85 MEN1 (0.68) MEN1KMT2ACYP1A2TSHRADRB2
SCHEMBL10415900 0.84 KMT2A (0.67) MEN1KMT2ACYP1A2TSHRADRB2
SCHEMBL10485622 0.82 MEN1 (0.65) MEN1KMT2ACYP1A2TSHRADRB2
Practolol SCHEMBL39925 0.81 ADRB2 (1.00) MEN1KMT2ACYP1A2TSHRADRB2
Practolol SCHEMBL39926 0.81 ADRB2 (1.00) MEN1KMT2ACYP1A2TSHRADRB2
SCHEMBL11857354 0.81 ADRB2 (0.71) MEN1KMT2ACYP1A2TSHRADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEM ARS HOLDING N.V. (NL) 2008-07-10 US disclosed
US-7211601-B2 Pharmaceutically active pyrrolidine derivatives APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2007-05-01 US disclosed
EP-1268419-B1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-21 EP disclosed
EP-1268418-B1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS (AN) 2006-06-14 EP disclosed
US-7018988-B2 Pharmaceutically active pyrrolidine derivatives as Bax inhibitors APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2006-03-28 US disclosed
US-6962945-B2 N-aryloxypropanolyl-N′-phenethyl-urea COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-11-08 US disclosed
US-20050215631-A1 NOVEL N-ARYLOXYPROPANOLYL-N' - PHENETHYL - UREA COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2005-09-29 US disclosed
WO-2005063699-A1 N-ARYLOXYPROPANOLYL-N’-PHENETHYL-UREA COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2005-07-14 WO disclosed
US-20030212012-A1 Pharmaceutically active pyrrolidine derivatives MERCK SERONO SA (CH) 2003-11-13 US disclosed
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors MERCK SERONO SA (CH) 2003-09-11 US disclosed
EP-1268418-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
EP-1268419-A1 PYRROLIDINE DERIVATIVES USEFUL AS BAX INHIBITORS Applied Research Systems ARS Holding N.V. (AN) 2003-01-02 EP disclosed
WO-2001074769-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-11 WO disclosed
WO-2001072705-A1 PHARMACEUTICALLY ACTIVE PYRROLIDINE DERIVATIVES AS BAX INHIBITORS APPLIED RESEARCH SYSTEMS ARS HOLDING N.V. (AN) 2001-10-04 WO disclosed
EP-0117089-A1 Beta-adrenergic antagonist compounds and derivatives of beta-adrenergic antagonists THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 1984-08-29 EP disclosed
US-4388308-A N6 -[(2-Hydroxypropyl)aryl]adenosines G.D. SEARLE & CO. (US) 1983-06-14 US disclosed
US-4020071-A B-ADRENOLYTIC, ANTIARRHYTHMIA CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1977-04-26 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 (4 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-20030212012-A1 Pharmaceutically active pyrrolidine derivatives OXTR, CNR1, PRLHR MEN1 4853/4885KMT2A 2950/4885CYP1A2 1142/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 MEN1 4860/4885KMT2A 3594/4885CYP1A2 1533/4885
US-20050215631-A1 NOVEL N-ARYLOXYPROPANOLYL-N' - PHENETHYL - UREA NPY4R, GPR119, MC4R MEN1 3594/4885KMT2A 1285/4885CYP1A2 1033/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS MEN1 4751/4885KMT2A 2727/4885CYP1A2 1243/4885

“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.