SCHEMBL4941717

SCHEMBL4941717

CCn1c2ccccc2c2cc(NC(=O)[C@@H]3CC(=CCl)CN3C(=O)COc3ccccc3)ccc21

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.59
KDM4E B2RXH2 8/20 0.59
HPGD P15428 5/20 0.59
TP53 P04637 4/20 0.51
ALDH1A1 P00352 4/20 0.49
GAA P10253 1/20 0.49
NPSR1 Q6W5P4 1/20 0.47
LMNA P02545 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
HCRTR1 O43613 2/20 0.46
RAB9A P51151 2/20 0.46
NPC1 O15118 1/20 0.46
RORC P51449 1/20 0.45
PAX8 Q06710 1/20 0.45
NPY5R Q15761 1/20 0.44

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
SCHEMBL4941715 1.00 MAPT (0.59) MAPTKDM4EHPGDTP53ALDH1A1
SCHEMBL4941684 0.86 NPSR1 (0.51) MAPTKDM4EHPGDALDH1A1NPSR1
SCHEMBL4941687 0.86 NPSR1 (0.51) MAPTKDM4EHPGDALDH1A1NPSR1
SCHEMBL4943201 0.85 MAPT (0.58) MAPTKDM4EHPGDTP53ALDH1A1
SCHEMBL4942757 0.85 MAPT (0.58) MAPTKDM4EHPGDTP53ALDH1A1
SCHEMBL4942761 0.85 MAPT (0.58) MAPTKDM4EHPGDTP53ALDH1A1
SCHEMBL7178628 0.83 MAPT (0.54) MAPTKDM4EHPGDTP53ALDH1A1
SCHEMBL4936264 0.83 MAPT (0.54) MAPTKDM4EHPGDTP53ALDH1A1
SCHEMBL4936232 0.83 MAPT (0.54) MAPTKDM4EHPGDTP53ALDH1A1
SCHEMBL4938460 0.83 MAPT (0.56) MAPTKDM4EHPGDTP53ALDH1A1

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 MAPT 4844/4885KDM4E 2553/4885HPGD 930/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 MAPT 4816/4885KDM4E 2451/4885HPGD 946/4885

“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.