SCHEMBL81909

SCHEMBL81909

Cc1cnc(N2CCN(C)CC2)nc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 5/20 0.51
HTR3A P46098 2/20 0.51
ALDH1A1 P00352 4/20 0.47
CYP1A2 P05177 4/20 0.47
HSD17B10 Q99714 4/20 0.47
USP2 O75604 3/20 0.47
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45
HDAC2 Q92769 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
DHFR P00374 1/20 0.44
OGA O60502 1/20 0.44
LMNA P02545 1/20 0.43
POLB P06746 1/20 0.43
TSHR P16473 2/20 0.43
MAPK1 P28482 2/20 0.43
KMT2A Q03164 2/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL81489 0.92 HRH4 (0.46) HRH4HTR3AALDH1A1CYP1A2HSD17B10
SCHEMBL27363701 0.91 HTR3A (0.45) HRH4HTR3AALDH1A1CYP1A2HSD17B10
SCHEMBL27363158 0.86 HRH4 (0.51) HRH4HTR3AALDH1A1CYP1A2HSD17B10
SCHEMBL25510868 0.83 CYP3A4 (0.45) HRH4HTR3AALDH1A1CYP1A2HSD17B10
SCHEMBL12457554 0.82 GPR119 (0.44) ALDH1A1USP2DHFROGAPOLB
SCHEMBL436107 0.82 POLB (0.47) ALDH1A1DHFROGAPOLBTSHR
SCHEMBL15038306 0.81 HDAC3 (0.51) HRH4HTR3AALDH1A1CYP1A2HSD17B10
SCHEMBL3566311 0.81 HRH4 (0.50) HRH4HTR3AALDH1A1CYP1A2HSD17B10
SCHEMBL8275473 0.81 SIGMAR1 (0.50) HRH4HTR3ACYP1A2OGATSHR
SCHEMBL1852499 0.81 HTR3A (0.50) HRH4HTR3AALDH1A1CYP1A2HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022058745-A9 IMIDAZO[1,2-A]PYRIDINE COMPOUNDS AND THEIR USE IN THERAPY IMPERIAL COLLEGE INNOVATIONS LIMITED (GB) 2022-05-27 WO claimed
CN-113880859-A 2-aryl-4-arylmethylamino pyrimidine compound and application thereof 江西科技师范大学 2022-01-04 CN claimed
WO-2024054591-A1 RAPIDLY ACCELERATED FIBROSARCOMA (RAF) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-03-14 WO 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
WO-2023154282-A1 COMPOUNDS HAVING A T-STRUCTURE FORMED BY AT LEAST FOUR CYCLES FOR USE IN THE TREATMENT OF CANCER AND OTHER INDICATIONS THERAS, INC. (US) 2023-08-17 WO disclosed
WO-2023111996-A1 COMPOSITIONS AND METHODS OF MAKING AND USING SMALL MOLECULES IN THE TREATMENT OF CANCER REGLAGENE HOLDING, INC. (US) 2023-06-22 WO disclosed
WO-2023001247-A1 PYRIDAZINONE COMPOUND 南京明德新药研发有限公司 2023-01-26 WO disclosed
WO-2022212538-A1 DIAZEPANONE-FUSED PYRIMIDINE COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF BLUEPRINT MEDICINES CORPORATION (US) 2022-10-06 WO disclosed
CN-113880859-B 2-aryl-4-arylmethylamino pyrimidine compound and application thereof 江西科技师范大学 2022-06-21 CN disclosed
WO-2022094355-A1 PYRIMIDINE COMPOUNDS, COMPOSITIONS, AND MEDICINAL APPLICATIONS THEREOF LENGO THERAPEUTICS, INC. (US) 2022-05-05 WO disclosed
US-20090029967-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EXTRA-PYRAMIDAL SYNDROME AND OTHER MOVEMENT DISORDERS SCHERING CORPORATION 2009-01-29 US disclosed
US-20090029967-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EXTRA-PYRAMIDAL SYNDROME AND OTHER MOVEMENT DISORDERS SCHERING CORPORATION 2009-01-29 US disclosed
US-7414058-B2 Adenosine A2a receptor antagonists for the treatment of extra-pyramidal syndrome and other movement disorders SCHERING CORPORATION (US) 2008-08-19 US disclosed
US-7414058-B2 Adenosine A2a receptor antagonists for the treatment of extra-pyramidal syndrome and other movement disorders SCHERING CORPORATION (US) 2008-08-19 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-20040138235-A1 Adenosine A2a receptor antagonists for the treatment of extra-pyramidal syndrome and other movement disorders SCHERING CORPORATION 2004-07-15 US disclosed
US-20040138235-A1 Adenosine A2a receptor antagonists for the treatment of extra-pyramidal syndrome and other movement disorders SCHERING CORPORATION 2004-07-15 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 (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-20090029967-A1 ADENOSINE A2A RECEPTOR ANTAGONISTS FOR THE TREATMENT OF EXTRA-PYRAMIDAL SYNDROME AND OTHER MOVEMENT DISORDERS ADORA2A, ADORA3, ADORA2B HRH4 1452/4885HTR3A 4/4885ALDH1A1 2579/4885
US-20230303573-A1 3-((Hetero-)Aryl)-8-Amino-2-Oxo-1,3-Diaza-Spiro-[4.5]-Decane Derivatives OPRK1, OPRD1, OPRL1 HRH4 1326/4885HTR3A 81/4885ALDH1A1 337/4885
US-20080153812-A1 Heterocyclic amides as anticancer agents HDAC1, HDAC11, H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16 HRH4 1467/4885HTR3A 4724/4885ALDH1A1 87/4885
US-20040138235-A1 Adenosine A2a receptor antagonists for the treatment of extra-pyramidal syndrome and other movement disorders ADORA2A, ADORA3, ADORA2B HRH4 1452/4885HTR3A 4/4885ALDH1A1 2579/4885

“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.