SCHEMBL81828

SCHEMBL81828

Cc1cnc(N2CCN(C)CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.52
HTR3E A5X5Y0 3/20 0.52
HTR3B O95264 3/20 0.52
HTR3D Q70Z44 3/20 0.52
HTR3C Q8WXA8 3/20 0.52
HRH4 Q9H3N8 6/20 0.51
HRH3 Q9Y5N1 1/20 0.44
KCNH2 Q12809 2/20 0.43
GPR119 Q8TDV5 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42
RAB9A P51151 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL82210 0.93 HRH4 (0.46) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL2629285 0.83 KCNH2 (0.45) KCNH2GPR119NPSR1RAB9AL3MBTL1
SCHEMBL240638 0.81 SMN1; SMN2 (0.47) KCNH2GPR119NPSR1RAB9AL3MBTL1
SCHEMBL610714 0.80 HRH4 (0.51) HTR3AHRH4HRH3
SCHEMBL12943639 0.80 HTR3A (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL420087 0.80 HRH4 (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL25515014 0.80 DRD2 (0.46) KCNH2GPR119
SCHEMBL27363269 0.79 CASP1 (0.41) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL8207362 0.79 KCNH2 (0.43) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL9925949 0.79 HRH4 (0.51) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives Grünenthal GmbH (DE) 2023-09-28 US disclosed
EP-4066834-A1 HETEROCYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF PI3K-GAMMA MEDIATED DISORDERS Infinity Pharmaceuticals, Inc. (US) 2022-10-05 EP disclosed
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones Impact Therapeutics (Shanghai), Inc (CN) 2022-05-31 US disclosed
EP-3441392-B1 A PHARMACEUTICAL COMPOSITION FOR ORAL ADMINISTRATION INTELLIKINE LLC (US) 2021-12-15 EP disclosed
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES Impact Therapeutics (Shanghai), Inc (CN) 2020-12-10 US disclosed
EP-3722284-A1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES Grünenthal GmbH (DE) 2020-10-14 EP disclosed
US-10703759-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones IMPACT THERAPEUTICS, INC (CN) 2020-07-07 US disclosed
EP-3402781-B1 3-((HETERO-)ARYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-03-04 EP disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2009-12-10 US disclosed
WO-2009088986-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 WO disclosed
WO-2009088990-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. (US) 2009-07-16 WO disclosed
US-7501420-B2 Composition and antiviral of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2009-03-10 US disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080153812-A1 Heterocyclic amides as anticancer agents ASTRAZENECA AB (SE) 2008-06-26 US disclosed
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 US disclosed
US-7354924-B2 Composition and antiviral activity of substituted azaindoleoxoacetic piperazine derivatives BRISTOL-MYERS SQUIBB COMPANY (US) 2008-04-08 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 (9 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-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB HTR3A 2462/4885HTR3E 1780/4885HTR3B 2251/4885
US-20090306095-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 HTR3A 1532/4885HTR3E 1936/4885HTR3B 1931/4885
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 HTR3A 81/4885HTR3E 266/4885HTR3B 213/4885
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 HTR3A 4126/4885HTR3E 2553/4885HTR3B 4531/4885
US-10703759-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 HTR3A 4126/4885HTR3E 2553/4885HTR3B 4531/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HTR3A 4724/4885HTR3E 4820/4885HTR3B 4788/4885
US-20080119480-A1 COMPOSITION AND ANTIVIRAL ACTIVITY OF SUBSTITUTED AZAINDOLEOXOACETIC PIPERAZINE DERIVATIVES ITPA, IDO1, IDO2 HTR3A 1532/4885HTR3E 1936/4885HTR3B 1931/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB HTR3A 3213/4885HTR3E 3218/4885HTR3B 3085/4885
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 HTR3A 4126/4885HTR3E 2553/4885HTR3B 4531/4885

“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.