SCHEMBL9965971

SCHEMBL9965971

CNC1(c2ccccn2)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 1/20 0.44
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
OPRM1 P35372 4/20 0.41
OPRL1 P41146 4/20 0.41
OPRK1 P41145 2/20 0.41
ADORA2A P29274 1/20 0.38
OPRD1 P41143 1/20 0.37
VNN1 O95497 1/20 0.36
KIF11 P52732 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM4 P08173 1/20 0.36
CHRM5 P08912 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
MAPK1 P28482 1/20 0.36
SLC6A2 P23975 1/20 0.36
EHMT2 Q96KQ7 1/20 0.35

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
SCHEMBL15998490 0.92 GRIN1 (0.44) GRM4GRIN1GRIN2AGRIN2BOPRM1
SCHEMBL6805076 0.91 GRIN1 (0.50) GRM4GRIN1GRIN2AGRIN2BOPRM1
SCHEMBL6803006 0.91 GRIN1 (0.50) GRM4GRIN1GRIN2AGRIN2BOPRM1
SCHEMBL27796313 0.86 GRIN1 (0.43) GRM4GRIN1GRIN2AGRIN2BOPRM1
Hydrochloric Acid SCHEMBL5874153 0.81 ALDH1A1 (0.38) GRM4GRIN1GRIN2AGRIN2BOPRM1
Hydrochloric Acid SCHEMBL5874306 0.81 ALDH1A1 (0.38) GRM4GRIN1GRIN2AGRIN2BOPRM1
SCHEMBL24451414 0.79 GRM4 (0.42) GRM4GRIN1GRIN2AGRIN2BOPRM1
SCHEMBL9963369 0.79 GRIN1 (0.42) GRM4GRIN1GRIN2AGRIN2BOPRM1
SCHEMBL12260086 0.79 GRM4 (0.42) GRM4GRIN1GRIN2AGRIN2BOPRM1
SCHEMBL3655347 0.76 GRM4 (0.45) GRM4GRIN1GRIN2AGRIN2BOPRM1

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-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-29 US disclosed
US-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-06-29 US disclosed
WO-2023107419-A1 SATURATED SPIROCYCLICS AS ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. (US) 2023-06-15 WO disclosed
WO-2022260441-A1 PREPARATION OF SUBSTITUTED 1,2-DIAMINOHETEROCYCLIC COMPOUND DERIVATIVES AND THEIR USE AS PHARMACEUTICAL AGENTS AVELOS THERAPEUTICS INC. (KR) 2022-12-15 WO disclosed
US-10723727-B2 Tubulysin analogs and methods for their preparation PFIZER INC. (US) 2020-07-28 US disclosed
WO-2017134547-A1 TUBULYSIN ANALOGS AND METHODS FOR THEIR PREPARATION PFIZER INC. (US) 2017-08-10 WO disclosed
EP-2895482-B1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2016-10-19 EP disclosed
EP-2225238-B1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZOÝ1,2- ¨IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INT (DE) 2014-09-03 EP disclosed
WO-2014043019-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-03-20 WO disclosed
US-8354403-B2 Pyrrolidine derived beta 3 adrenergic receptor agonists MERCK SHARP & DOHME CORP. (US) 2013-01-15 US disclosed
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS MERCK SHARP & DOHME, CORP. (US) 2012-06-21 US disclosed
WO-2009070485-A1 DERIVATIVES OF 6,7-DIHYDRO-5H-IMIDAZO[1,2-α]IMIDAZOLE-3- CARBOXYLIC ACID AMIDES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-06-04 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 (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-20230203048-A1 SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 GRM4 3873/4885GRIN1 1865/4885GRIN2A 4007/4885
US-20120157432-A1 NOVEL PYRROLIDINE DERIVED BETA 3 ADRENERGIC RECEPTOR AGONISTS ADRB3, ADRB1, ADRB2 GRM4 1436/4885GRIN1 1665/4885GRIN2A 1346/4885
US-10723727-B2 Tubulysin analogs and methods for their preparation NGLY1, TEK, TEKT1 GRM4 3859/4885GRIN1 4224/4885GRIN2A 4372/4885

“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.