SCHEMBL2913379

SCHEMBL2913379

CCC(C)C(=O)NCc1ccccc1Cl

nearest known ligand 0.75

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.75
NPC1 O15118 2/20 0.60
RAB9A P51151 1/20 0.60
KMT2A Q03164 3/20 0.59
HTT P42858 2/20 0.56
ANPEP P15144 1/20 0.54
TP53 P04637 1/20 0.52
TSHR P16473 2/20 0.51
MEN1 O00255 2/20 0.49
CASR P41180 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
SCHEMBL2943082 0.87 ALDH1A1 (0.73) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL9424898 0.83 ALDH1A1 (0.73) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL13212299 0.83 TSHR (0.52) ALDH1A1KMT2ATSHR
SCHEMBL27802239 0.82 ALDH1A1 (0.59) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL2910972 0.81 RIPK1 (0.56) ALDH1A1NPC1RAB9AKMT2AANPEP
SCHEMBL2910863 0.81 SLC1A2 (0.59) ALDH1A1TSHR
SCHEMBL21435278 0.80 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL9425263 0.80 ALDH1A1 (0.68) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL21004152 0.79 TSHR (0.80) ALDH1A1NPC1RAB9AKMT2AHTT
SCHEMBL12863555 0.79 ANPEP (0.56) ALDH1A1KMT2AANPEPTSHRMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1586552-B1 PROCESS FOR PRODUCING BENZYLAMINE DERIVATIVE IHARA CHEMICAL IND CO (JP) 2010-08-25 EP disclosed
US-7326813-B2 Process for producing benzylamine derivative IHARA CHEMICAL INDUSTRY (JP) 2008-02-05 US disclosed
US-20060155141-A1 Process for producing benzylamine derivative ITO AKINORI 2006-07-13 US disclosed
EP-1586552-A1 PROCESS FOR PRODUCING BENZYLAMINE DERIVATIVE IHARA CHEMICAL INDUSTRY Co., Ltd. (JP) 2005-10-19 EP 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 (1 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-20060155141-A1 Process for producing benzylamine derivative BRD7, BRD1, BRD2 ALDH1A1 2660/4885NPC1 3303/4885RAB9A 730/4885

“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.