SCHEMBL12463

SCHEMBL12463

COCCOc1cccc(C)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.57
DRD2 P14416 2/20 0.56
DRD4 P21917 2/20 0.56
DRD3 P35462 1/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
TDP1 Q9NUW8 2/20 0.54
MAPK1 P28482 1/20 0.54
KDM4E B2RXH2 1/20 0.53
POLB P06746 1/20 0.53
KMT2A Q03164 2/20 0.51
F2 P00734 1/20 0.51
RAB9A P51151 1/20 0.51
SMN1; SMN2 Q16637 2/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C9 P11712 1/20 0.50
TSHR P16473 1/20 0.50
CYP2C19 P33261 1/20 0.50
HSD17B10 Q99714 1/20 0.50

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
SCHEMBL20126667 0.94 MAPK1 (0.61) ACHEDRD2DRD4DRD3L3MBTL1
SCHEMBL13645892 0.94 MAPK1 (0.61) ACHEDRD2DRD4DRD3L3MBTL1
SCHEMBL14972871 0.94 MAPK1 (0.61) ACHEDRD2DRD4DRD3L3MBTL1
SCHEMBL27465 0.92 DRD2 (0.62) ACHEDRD2DRD4DRD3L3MBTL1
SCHEMBL29381067 0.92 DRD2 (0.62) ACHEDRD2DRD4DRD3L3MBTL1
SCHEMBL5987233 0.90 DRD2 (0.58) ACHEDRD2DRD4DRD3L3MBTL1
SCHEMBL13313238 0.90 DRD2 (0.58) ACHEDRD2DRD4DRD3L3MBTL1
SCHEMBL15723552 0.87 MAPK1 (0.58) MAPK1KDM4ESMN1; SMN2CYP1A2CYP3A4
SCHEMBL2063136 0.86 DRD2 (0.72) ACHEDRD2DRD4DRD3L3MBTL1
SCHEMBL5686017 0.86 DRD2 (0.72) ACHEDRD2DRD4DRD3L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors ALTAVANT SCIENCES GMBH 2023-09-19 US disclosed
US-20230203002-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2023-06-29 US disclosed
WO-2022258622-A1 COMBINATION TREATMENT OF CANCER ARES TRADING S.A. (CH) 2022-12-15 WO disclosed
US-20220267352-A1 RAPAMYCIN ANALOGS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-08-25 US disclosed
EP-1887008-B1 THIENOTRIAZOLODIAZEPINE COMPOUND AND A MEDICINAL USE THEREOF MITSUBISHI TANABE PHARMA CORP (JP) 2021-04-21 EP disclosed
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-08-25 US disclosed
US-20200231564-A9 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME TREVENA, INC. 2020-07-23 US disclosed
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors ENANTA PHARMACEUTICALS, INC. (US) 2020-05-12 US disclosed
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors CELGENE CAR LLC (BM) 2020-03-24 US disclosed
US-10566105-B2 Method for producing charge transport film HITACHI CHEMICAL COMPANY, LTD. (JP) 2020-02-18 US disclosed
WO-2008075068-A2 ACYLAMINOPYRAZOLES AS FGFR INHIBITORS ASTRAZENECA AB (SE) 2008-06-26 WO disclosed
WO-2008044144-A2 CHIRAL TETRA-HYDRO BETA-CARBOLIC DERIVATIVES AND APPLICATIONS THEREOF AS ANTIPARASITIC COMPOUNDS UNIVERSITE DE LILLE 2, UNIVERSITÉ DU DROIT ET DE LA SANTÉ (FR) 2008-04-17 WO disclosed
WO-2007009250-A1 RENIN INHIBITORS MERCK FROSST CANADA LTD. (CA) 2007-01-25 WO disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof NIPPON KAYAKU KABUSHIKI KAISHA (JP) 2007-01-11 US disclosed
WO-2006069788-A1 ORGANIC COMPOUNDS NOVARTIS AG (CH) 2006-07-06 WO disclosed
WO-2005012304-A2 TRIAZOLOPYRIMIDINE DERIVATIVES AS GLYCOGEN SYNTHASE KINASE 3 INHIBITORS JANSSEN PHARMACEUTICA N.V. (BE) 2005-02-10 WO disclosed
US-6420418-B1 INHIBITION AND PREVENTION OF LEUKOCYTE ADHESION; USED TO TREAT ADHESION-MEDIATED DISEASES SUCH AS ASTHMA, ALLERGIC RHINITIS, MULTIPLE SCLEROSIS; ATHEROSCLEROSIS, AND INFLAMMATORY BOWEL DISEASE MERCK & CO., INC. 2002-07-16 US disclosed
WO-2001012183-A1 HETEROCYCLE AMIDES AS CELL ADHESION INHIBITORS MERCK & CO., INC. (US) 2001-02-22 WO disclosed
EP-0102324-A2 Lipids and surfactants in an aqueous medium CIBA-GEIGY AG (CH) 1984-03-07 EP 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 (8 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-20200231564-A9 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 ACHE 54/4885DRD2 155/4885DRD4 311/4885
US-20220267352-A1 RAPAMYCIN ANALOGS AND USES THEREOF RICTOR, MTOR, RPTOR ACHE 4863/4885DRD2 4837/4885DRD4 4682/4885
US-20070010515-A1 [1,2,4] Triazolo [1,5, a] pyrimidin-2-ylurea derivative and use thereof HLA-C, TPMT, TAP1 ACHE 4424/4885DRD2 4227/4885DRD4 4612/4885
US-11759462-B2 Spirocyclic compounds as tryptophan hydroxylase inhibitors TPH1, TPH2, HTR1A ACHE 3515/4885DRD2 707/4885DRD4 760/4885
US-10647711-B2 Azepin-2-one derivatives as RSV inhibitors AZI2, FURIN, ACE2 ACHE 3403/4885DRD2 3065/4885DRD4 4003/4885
US-10752598-B2 Aryldiazepine derivatives as RSV inhibitors AHR, FURIN, CYP3A5 ACHE 2402/4885DRD2 218/4885DRD4 386/4885
US-20230203002-A1 6-MEMBERED AZA-HETEROCYCLIC CONTAINING DELTA-OPIOID RECEPTOR MODULATING COMPOUNDS, METHODS OF USING AND MAKING THE SAME OPRD1, OPRM1, OPRK1 ACHE 54/4885DRD2 155/4885DRD4 311/4885
US-10596172-B2 2,4-disubstituted pyrimidines useful as kinase inhibitors DCK, CDK2, DTYMK ACHE 4707/4885DRD2 3498/4885DRD4 3759/4885

“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.