SCHEMBL4944200

SCHEMBL4944200

COc1ccc(OC[C@@H](O)CN)cc1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
POLB P06746 2/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 2/20 0.54
MEN1 O00255 3/20 0.54
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
MAPT P10636 3/20 0.53
GAA P10253 2/20 0.53
MAPK1 P28482 2/20 0.53
HPGD P15428 1/20 0.53
HTT P42858 1/20 0.53
CA1 P00915 1/20 0.50
CA2 P00918 1/20 0.50
CA4 P22748 1/20 0.50
CA7 P43166 1/20 0.50
CA9 Q16790 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
ADRB3 P13945 1/20 0.49

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
SCHEMBL4944194 1.00 KMT2A (0.57) KMT2ASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL773407 0.95 KMT2A (0.53) KMT2ASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL11127254 0.90 SMN1; SMN2 (0.61) KMT2ASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL1101533 0.89 HTT (0.58) KMT2ASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL773178 0.86 KMT2A (0.59) KMT2ASMN1; SMN2KDM4ETSHRMAPT
SCHEMBL772822 0.85 TSHR (0.65) KMT2ASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL16093324 0.85 TSHR (0.65) KMT2ASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL15947750 0.85 TSHR (0.65) KMT2ASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL772821 0.85 TSHR (0.53) KMT2ASMN1; SMN2POLBKDM4EALDH1A1
SCHEMBL10714176 0.84 KMT2A (0.53) KMT2ASMN1; SMN2POLBKDM4EALDH1A1

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 7 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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 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 KMT2A 2950/4885SMN1; SMN2 1513/4885POLB 2406/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 KMT2A 3594/4885SMN1; SMN2 1945/4885POLB 2419/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS KMT2A 2727/4885SMN1; SMN2 459/4885POLB 824/4885

“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.