SCHEMBL2875172

SCHEMBL2875172

O=C1CCCc2cscc21

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.48
MAOB P27338 8/20 0.48
CYP2A6 P11509 1/20 0.48
PRKCI P41743 1/20 0.42
MEN1 O00255 1/20 0.42
MAPK1 P28482 1/20 0.42
KMT2A Q03164 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B1 P14061 2/20 0.38
GRM5 P41594 1/20 0.36
BAZ2B Q9UIF8 1/20 0.35
PLK1 P53350 1/20 0.33
CSNK2A1 P68400 1/20 0.33
PLK3 Q9H4B4 1/20 0.33
CDC25B P30305 1/20 0.32
PKN1 Q16512 1/20 0.32
PKN2 Q16513 1/20 0.32
GRIN2D O15399 1/20 0.31
GRIN3B O60391 1/20 0.31
GRIN1 Q05586 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
SCHEMBL10593575 0.86
SCHEMBL5566492 0.74
SCHEMBL5560931 0.72 TSHR (0.40) CDC25BALDH1A1
SCHEMBL23142231 0.71 PARP10 (0.40)
SCHEMBL8284440 0.69 MEN1 (0.69) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL984947 0.68
SCHEMBL3454654 0.67 MEN1 (0.73) MAOAMAOBCYP2A6PRKCIMEN1
SCHEMBL29351871 0.65 MAOA (1.00) MAOAMAOBCYP2A6PRKCIHSD17B1
SCHEMBL44545 0.65 MAOA (1.00) MAOAMAOBCYP2A6PRKCIHSD17B1
SCHEMBL4922973 0.64 ALDH1A1 (0.44) MAOAMEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118284606-A Bicyclic amine derivatives as GABAA α5 receptor modulators 吉瑞工厂 2024-07-02 CN disclosed
CN-115348962-A As GABA A Naphthyridines and pyrido [3,4-c ] of alpha 5 receptor modulators]Pyridazine derivatives 吉瑞工厂 2022-11-15 CN disclosed
US-11083732-B2 Use of negative modulators of GABA receptors containing alpha5 subunits as fast acting antidepressants UNIVERSITY OF MARYLAND, BALTIMORE (US) 2021-08-10 US disclosed
EP-3125902-B1 USE OF NEGATIVE MODULATORS OF GABA RECEPTORS CONTAINING ALPHA5 SUBUNITS AS FAST ACTING ANTIDEPRESSANTS UNIV MARYLAND (US) 2020-09-16 EP disclosed
EP-3125902-A2 USE OF NEGATIVE MODULATORS OF GABA RECEPTORS CONTAINING ALPHA5 SUBUNITS AS FAST ACTING ANTIDEPRESSANTS University of Maryland, Baltimore (US) 2017-02-08 EP disclosed
US-20170020892-A1 USE OF NEGATIVE MODULATORS OF GABA RECEPTORS CONTAINING ALPHA5 SUBUNITS AS FAST ACTING ANTIDEPRESSANTS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2017-01-26 US disclosed
WO-2015153658-A2 USE OF NEGATIVE MODULATORS OF GABA RECEPTORS CONTAINING ALPHA5 SUBUNITS AS FAST ACTING ANTIDEPRESSANTS UNIVERSITY OF MARYLAND, BALTIMORE (US) 2015-10-08 WO disclosed
US-8288400-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-10-16 US disclosed
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-07-19 US disclosed
US-8017619-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-09-13 US disclosed
US-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-11-04 US disclosed
US-20100130479-A1 Gabaergic Agents to Treat Memory Deficits NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2010-05-27 US disclosed
US-7700609-B2 Compositions useful as inhibitors of protein kinases VERTEX PHARMACEUTICALS INCORPORATED (US) 2010-04-20 US disclosed
US-7595395-B2 Gabaergic agents to treat memory deficits WISYS TECHNOLOGY FOUNDATION (US) 2009-09-29 US disclosed
US-20060258643-A1 GABAERGIC AGENTS TO TREAT MEMORY DEFICITS WISYS TECHNOLOGY FOUNDATION, INC. (US) 2006-11-16 US disclosed
EP-0937072-A1 THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABA A? $g(a)5 RECEPTOR SUBTYPE MERCK SHARP & DOHME LTD. (GB) 1999-08-25 EP disclosed
WO-1998018792-A1 THIENYLCYCLOHEXANONE DERIVATIVES AS LIGANDS OF THE GABAA α5 RECEPTOR SUBTYPE MERCK SHARP & DOHME LIMITED (GB) 1998-05-07 WO 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-20100130479-A1 Gabaergic Agents to Treat Memory Deficits GABRA5, GABRA6, GABRB1 MAOA 840/4885MAOB 860/4885CYP2A6 684/4885
US-20100280026-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K6 MAOA 3266/4885MAOB 3227/4885CYP2A6 4462/4885
US-20060258643-A1 GABAERGIC AGENTS TO TREAT MEMORY DEFICITS GABRA5, GABRA6, GABRA1 MAOA 580/4885MAOB 760/4885CYP2A6 639/4885
US-20120183577-A1 COMPOSITIONS USEFUL AS INHIBITORS OF PROTEIN KINASES MAP3K20, MAP3K1, MAP3K6 MAOA 3266/4885MAOB 3227/4885CYP2A6 4462/4885

“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.