SCHEMBL4944146

SCHEMBL4944146

CCON=C1C[C@@H](C(=O)Nc2ccc3c(c2)c2ccccc2n3CC)N(C(=O)COc2ccc(Cl)cc2)C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 16/20 0.51
KDM4E B2RXH2 8/20 0.51
HPGD P15428 5/20 0.51
TP53 P04637 4/20 0.50
NPSR1 Q6W5P4 3/20 0.44
SMN1; SMN2 Q16637 6/20 0.43
LMNA P02545 4/20 0.43
RORC P51449 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 4/20 0.42
HCRTR1 O43613 1/20 0.42
RAB9A P51151 1/20 0.42
PAX8 Q06710 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
GAA P10253 1/20 0.42
POLB P06746 1/20 0.42

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
SCHEMBL4944138 1.00 MAPT (0.51) MAPTKDM4EHPGDTP53NPSR1
SCHEMBL4943201 0.94 MAPT (0.58) MAPTKDM4EHPGDTP53NPSR1
SCHEMBL4942761 0.94 MAPT (0.58) MAPTKDM4EHPGDTP53NPSR1
SCHEMBL4942757 0.94 MAPT (0.58) MAPTKDM4EHPGDTP53NPSR1
SCHEMBL4943856 0.94 MAPT (0.47) MAPTKDM4EHPGDTP53NPSR1
SCHEMBL4943852 0.94 MAPT (0.47) MAPTKDM4EHPGDTP53NPSR1
SCHEMBL4938947 0.88 NPSR1 (0.48) MAPTKDM4EHPGDTP53NPSR1
SCHEMBL4938955 0.88 NPSR1 (0.48) MAPTKDM4EHPGDTP53NPSR1
SCHEMBL4936264 0.88 MAPT (0.54) MAPTKDM4EHPGDTP53NPSR1
SCHEMBL7178628 0.88 MAPT (0.54) MAPTKDM4EHPGDTP53NPSR1

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 MAPT 4844/4885KDM4E 2553/4885HPGD 930/4885
US-20080167318-A1 Pharmaceutically active pyrrolidine derivatives OXTR, PRLHR, NR0B1 MAPT 4816/4885KDM4E 2451/4885HPGD 946/4885
US-20030171309-A1 Pharmaceutically active pyrrolidine derivatives as bax inhibitors SUCNR1, PYCR1, GLS MAPT 2519/4885KDM4E 1468/4885HPGD 689/4885

“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.