SCHEMBL128122

SCHEMBL128122

CC(C(=O)O)N1CC[N]CC1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SLC6A9 P48067 1/20 0.33
TP53 P04637 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CSNK2A2 P19784 1/20 0.31
CSNK2B P67870 1/20 0.31
CSNK2A1 P68400 1/20 0.31
KDM4E B2RXH2 1/20 0.30
KCNH2 Q12809 1/20 0.30
HRH3 Q9Y5N1 1/20 0.30

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
SCHEMBL3967181 0.83 SLC6A9 (0.40) RAB9AALDH1A1SLC6A9TP53MEN1
SCHEMBL14100030 0.83 SLC6A9 (0.40) RAB9AALDH1A1SLC6A9TP53MEN1
SCHEMBL1165366 0.83 SLC6A9 (0.40) RAB9AALDH1A1SLC6A9TP53MEN1
SCHEMBL1133814 0.83
SCHEMBL13223389 0.83 SLC6A9 (0.40) RAB9AALDH1A1SLC6A9TP53MEN1
SCHEMBL24220960 0.83 SLC6A9 (0.40) RAB9AALDH1A1SLC6A9TP53MEN1
SCHEMBL7744888 0.83 SLC6A9 (0.40) RAB9AALDH1A1SLC6A9TP53MEN1
SCHEMBL8340 0.80 MEN1 (0.33) MEN1KMT2A
SCHEMBL21983946 0.78
SCHEMBL18669476 0.78

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 42 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US claimed
EP-1663994-B1 TETRAHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMA (US) 2012-03-07 EP claimed
JP-4808156-B2 2011-11-02 JP claimed
US-7968545-B2 Compositions useful as inhibitors of voltage-gated ion channels VERTEX PHARMACEUTICALS INC. (US) 2011-06-28 US claimed
US-7696195-B2 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-13 US claimed
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS IRM LLC (BM) 2010-02-04 US claimed
EP-1663994-A1 CONDENSED PYRIMIDINE COMPOUNDS AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2006-06-07 EP claimed
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-11-17 US claimed
US-20050187217-A1 Compositions useful as inhibitors of voltage-gated ion channels VERTEX PHARMACEUTICALS INCORPORATED 2005-08-25 US claimed
WO-2005014558-A1 CONDENSED PYRAMIDINE COMPOUNDS AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2005-02-17 WO claimed
US-5614535-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1997-03-25 US claimed
US-8202876-B2 Compounds and compositions as protein kinase inhibitors IRM LLC (BM) 2012-06-19 US disclosed
EP-1663994-B1 TETRAHYDROQUINAZOLINE COMPOUNDS AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMA (US) 2012-03-07 EP disclosed
US-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS VERTEX PHARMACEUTICALS, INC. (US) 2012-02-16 US disclosed
US-7968545-B2 Compositions useful as inhibitors of voltage-gated ion channels VERTEX PHARMACEUTICALS INC. (US) 2011-06-28 US disclosed
EP-0596126-A1 NOVEL QUINOLONE DERIVATIVE OR SALT THEREOF AND ANTIBACTERIAL CONTAINING THE SAME WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1994-05-11 EP disclosed
US-5254685-A Tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-10-19 US disclosed
US-5245037-A Synthetic bactericides WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1993-09-14 US disclosed
EP-0470578-A1 Novel tricyclic compound or salts thereof, method for producing the same and antimicrobial agent containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1992-02-12 EP disclosed
EP-0393400-A1 Novel quinolone derivatives, preparation processes thereof, and antibacterial agents containing the same WAKUNAGA SEIYAKU KABUSHIKI KAISHA (JP) 1990-10-24 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 (4 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-20050187217-A1 Compositions useful as inhibitors of voltage-gated ion channels KCNQ1, KCNN2, KCNH3 RAB9A 1702/4885ALDH1A1 3086/4885SLC6A9 580/4885
US-20120040935-A1 COMPOSITIONS USEFUL AS INHIBITORS OF VOLTAGE-GATED ION CHANNELS KCNQ1, KCNN2, KCNH3 RAB9A 1702/4885ALDH1A1 3086/4885SLC6A9 580/4885
US-20100029605-A1 COMPOUNDS AND COMPOSITIONS AS PROTEIN KINASE INHIBITORS FYN, ABL2, LCK RAB9A 1272/4885ALDH1A1 3998/4885SLC6A9 4758/4885
US-20050256099-A1 Selected CGRP-antagonists, process for preparing them and their use as pharmaceutical compositions CALCRL, CALCR, CALCA RAB9A 1600/4885ALDH1A1 1559/4885SLC6A9 811/4885

“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.