SCHEMBL2175208

SCHEMBL2175208

CC1(C)C=Cc2cc(Br)ccc2N1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 9/20 0.38
AR P10275 2/20 0.38
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NR3C1 P04150 1/20 0.35
TGM2 P21980 1/20 0.34
CES1 P23141 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
BRD4 O60885 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NPSR1 Q6W5P4 1/20 0.32
AKR1B1 P15121 1/20 0.32
SNCA P37840 1/20 0.31
CA12 O43570 1/20 0.31

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
SCHEMBL29789712 0.85 HTR2B (0.38) PGRARHTR2CHTR2BSIGMAR1
SCHEMBL20673076 0.85 HTR2B (0.38) PGRARHTR2CHTR2BSIGMAR1
SCHEMBL6230107 0.79 ALDH1A1 (0.49) PGRARMEN1KMT2AKDM4E
SCHEMBL10840821 0.78 PGR (0.40) PGRARHTR2CNR3C1KDM4E
SCHEMBL9306599 0.78 PGR (0.38) PGRARHTR2CNR3C1TGM2
SCHEMBL10841242 0.75 ALDH1A1 (0.46) PGRARHTR2CMEN1KMT2A
SCHEMBL10838748 0.74 PGR (0.47) PGRARNR3C1MEN1KMT2A
SCHEMBL22411407 0.74 PGR (0.42) PGRARNR3C1SNCACA12
SCHEMBL30873826 0.74 PGR (0.42) PGRARNR3C1SNCACA12
SCHEMBL30873886 0.73 CA12 (0.38) PGRARMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
CN-114901652-A Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders 比亚尔R&D投资股份公司 2022-08-12 CN disclosed
EP-4031540-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
WO-2021055630-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL- BIOTECH INVESTMENTS, INC. (US) 2021-03-25 WO disclosed
US-7973047-B2 Beta-Secretase modulators and methods of use AMGEN INC. (US) 2011-07-05 US disclosed
US-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. 2010-09-02 US disclosed
US-7745484-B2 Beta-secretase modulators and methods of use AMGEN INC. (US) 2010-06-29 US disclosed
EP-1971598-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2008-09-24 EP disclosed
US-20070185144-A1 Beta-secretase modulators and methods of use AMGEN INC. (US) 2007-08-09 US disclosed
WO-2007061670-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2007-05-31 WO disclosed
US-5401848-A Indane and quinoline derivatives E. R. SQUIBB & SONS, INC. (US) 1995-03-28 US disclosed
EP-0488616-A1 Indane and quinoline derivatives E.R. SQUIBB & SONS, INC. (US) 1992-06-03 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 (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-20100222338-A1 BETA-SECRETASE MODULATORS AND METHODS OF USE BACE1, BACE2, APP PGR 2527/4885AR 2833/4885HTR2C 3278/4885
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 PGR 3322/4885AR 2576/4885HTR2C 853/4885
US-20070185144-A1 Beta-secretase modulators and methods of use BACE1, BACE2, APP PGR 2527/4885AR 2833/4885HTR2C 3278/4885

“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.