SCHEMBL4945227

SCHEMBL4945227

CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC(=NOC)CN3C(C)=O)ccc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 2/20 0.55
MAPT P10636 14/20 0.53
KDM4E B2RXH2 12/20 0.53
LMNA P02545 8/20 0.51
SMN1; SMN2 Q16637 7/20 0.51
MEN1 O00255 5/20 0.51
KMT2A Q03164 5/20 0.51
HPGD P15428 9/20 0.50
ALDH1A1 P00352 7/20 0.50
RAB9A P51151 3/20 0.50
HCRTR1 O43613 3/20 0.50
PAX8 Q06710 1/20 0.50
REV1 Q9UBZ9 1/20 0.50
NPY5R Q15761 4/20 0.49
NPC1 O15118 2/20 0.48
HTT P42858 2/20 0.48
POLB P06746 1/20 0.48
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47

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
SCHEMBL4945223 1.00 NPSR1 (0.55) NPSR1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL4941431 0.92 MAPT (0.55) NPSR1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL7092578 0.92 MAPT (0.55) NPSR1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL4941435 0.92 MAPT (0.55) NPSR1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL4943300 0.92 NPSR1 (0.54) NPSR1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL4943291 0.92 NPSR1 (0.54) NPSR1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL4942756 0.90 NPSR1 (0.50) NPSR1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL5738083 0.90 NPSR1 (0.50) NPSR1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL5735506 0.88 MAPT (0.48) NPSR1MAPTKDM4ELMNASMN1; SMN2
SCHEMBL4939781 0.88 MAPT (0.48) NPSR1MAPTKDM4ELMNASMN1; SMN2

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 6 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

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

For each of this compound's patents that has machine-readable text (2 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 NPSR1 27/4885MAPT 4844/4885KDM4E 2553/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 NPSR1 22/4885MAPT 4816/4885KDM4E 2451/4885

“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.