SCHEMBL9911858

SCHEMBL9911858

CC(C)(C)C1(c2ccccn2)CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 1/20 0.42
GRIN2A Q12879 1/20 0.42
GRIN2B Q13224 1/20 0.42
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 1/20 0.37
OPRL1 P41146 1/20 0.37
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
SLC6A2 P23975 2/20 0.36
VNN1 O95497 1/20 0.35
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 1/20 0.34
POLB P06746 1/20 0.34
CCR1 P32246 1/20 0.34
CCR5 P51681 1/20 0.34

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
SCHEMBL28165722 0.80 PDK2 (0.42) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL30503538 0.80 PDK2 (0.42) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL10637780 0.77 GRIN1 (0.41) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL24449645 0.76 GRIN1 (0.39) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL19798049 0.74 GOT1 (0.31) OPRM1OPRL1
SCHEMBL1515317 0.72 GRIN1 (0.46) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL8126732 0.72 CTSD (0.35) NOS3NOS2
SCHEMBL12260086 0.72 GRM4 (0.42) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL29006204 0.72 GRIN1 (0.48) GRIN1GRIN2AGRIN2BOPRM1OPRD1
SCHEMBL1515509 0.69 GRIN1 (0.47) GRIN1GRIN2AGRIN2BOPRM1OPRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11912714-B2 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2024-02-27 US disclosed
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2023-05-18 US disclosed
US-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KUMQUAT BIOSCIENCES INC. (US) 2023-05-16 US disclosed
US-11339170-B1 Spiropyrrolidine derived antiviral agents ENANTA PHARMACEUTICALS, INC. (US) 2022-05-24 US disclosed
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AMGEN INC. (US) 2021-06-01 US disclosed
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AMGEN INC. (US) 2019-09-26 US disclosed
US-20190031692-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2019-01-31 US disclosed
US-20180022767-A1 Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-01-25 US disclosed
US-20180022767-A1 Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2018-01-25 US disclosed
US-9758537-B2 Compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS (US) 2017-09-12 US disclosed
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2016-12-15 US disclosed
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
US-8536338-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2013-09-17 US disclosed
US-8293909-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-10-23 US disclosed
US-20120232099-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2012-09-13 US disclosed
US-8247401-B2 P2X3 receptor antagonists for treatment of pain MERCK SHARP & DOHME CORP. (US) 2012-08-21 US disclosed
US-8198449-B2 Compounds for the treatment of hepatitis C BRISTOL-MYERS SQUIBB COMPANY (US) 2012-06-12 US disclosed
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN MERCK SHARP & DOHME LLC 2010-10-21 US disclosed
US-20100184800-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-07-22 US disclosed
US-20100063068-A1 Compounds for the Treatment of Hepatitis C BRISTOL-MYERS SQUIBB COMPANY 2010-03-11 US 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 (14 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-11648254-B2 Substituted pyrido[2,3-d]pyrimidines as inhibitors of Ras pathway signaling KRAS, NRAS, BRAF GRIN1 3548/4885GRIN2A 4301/4885GRIN2B 3607/4885
US-20230151019-A1 NOVEL SPIROPYRROLIDINE DERIVED ANTIVIRAL AGENTS ACE, ACE2, PKD1 GRIN1 1720/4885GRIN2A 3657/4885GRIN2B 3591/4885
US-20100266714-A1 P2X3 RECEPTOR ANTAGONISTS FOR TREATMENT OF PAIN P2RX3, P2RX1, P2RX2 GRIN1 272/4885GRIN2A 228/4885GRIN2B 297/4885
US-20100063068-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 GRIN1 4648/4885GRIN2A 4818/4885GRIN2B 4723/4885
US-11020395-B2 Cycloalkyl substituted triazole compounds as agonists of the APJ receptor AGTR1, AGTR2, TBXA2R GRIN1 717/4885GRIN2A 743/4885GRIN2B 762/4885
US-20150239838-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH GRIN1 1158/4885GRIN2A 3557/4885GRIN2B 1848/4885
US-20160361329-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, CFH, TFPI GRIN1 3283/4885GRIN2A 4687/4885GRIN2B 3945/4885
US-20100184800-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 GRIN1 4648/4885GRIN2A 4818/4885GRIN2B 4723/4885
US-11339170-B1 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 GRIN1 1865/4885GRIN2A 4007/4885GRIN2B 3883/4885
US-11912714-B2 Spiropyrrolidine derived antiviral agents ACE, ACE2, PKD1 GRIN1 1865/4885GRIN2A 4007/4885GRIN2B 3883/4885
US-20120232099-A1 Compounds for the Treatment of Hepatitis C HAVCR2, HCCS, SLC10A1 GRIN1 4648/4885GRIN2A 4818/4885GRIN2B 4723/4885
US-20180022767-A1 Compounds for Treatment of Complement Mediated Disorders CFD, TFPI, CFH GRIN1 1158/4885GRIN2A 3557/4885GRIN2B 1848/4885
US-20190031692-A1 COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, TFPI, CFH GRIN1 1158/4885GRIN2A 3557/4885GRIN2B 1848/4885
US-20190290648-A1 CYCLOALKYL SUBSTITUTED TRIAZOLE COMPOUNDS AS AGONISTS OF THE APJ RECEPTOR AGTR1, AGTR2, TBXA2R GRIN1 717/4885GRIN2A 743/4885GRIN2B 762/4885

“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.