SCHEMBL2069862

SCHEMBL2069862

[CH]=CC1=Cc2ccccc2CC1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.42
CYP11B1 P15538 2/20 0.39
CYP11B2 P19099 2/20 0.39
CYP19A1 P11511 1/20 0.39
NISCH Q9Y2I1 1/20 0.38
GPR84 Q9NQS5 1/20 0.36
PTGS2 P35354 1/20 0.35
HTR1A P08908 1/20 0.35
DRD2 P14416 1/20 0.35
HTR2A P28223 1/20 0.35
HTR2C P28335 1/20 0.35
HTR7 P34969 1/20 0.35
HRH1 P35367 1/20 0.35
DRD3 P35462 1/20 0.35
HTR2B P41595 1/20 0.35
MAOB P27338 2/20 0.34
ADRA2A P08913 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
SCHEMBL9370628 0.81 MAOA (0.39) KDM1ACYP11B1CYP11B2GPR84PTGS2
SCHEMBL29648416 0.79 KDM1A (0.42) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL4265228 0.79 KDM1A (0.42) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL27526060 0.78 KDM1A (0.41) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL2531349 0.76 GPR84 (0.41) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL2531348 0.76 GPR84 (0.41) KDM1ACYP11B1CYP11B2CYP19A1NISCH
SCHEMBL4264349 0.71 HCAR2 (0.44) KDM1ACYP11B1CYP11B2CYP19A1PTGS2
SCHEMBL4270776 0.71 HCAR2 (0.44) KDM1ACYP11B1CYP11B2CYP19A1PTGS2
SCHEMBL4268501 0.68 GPR183 (0.49)
SCHEMBL16844151 0.68 CYP11B1 (0.33) KDM1ACYP11B1CYP11B2CYP19A1NISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9447100-B2 Substituted pyrazolo[1,5-A] pyrimidines as calcium receptor modulating agents TAKEDA PHARMACEUTICAL COMPANY, LTD. (JP) 2016-09-20 US disclosed
US-20140155416-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINES AS CALCIUM RECEPTOR MODULATING AGENTS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-06-05 US disclosed
EP-2522670-A1 Heterocyclic CRF receptor antagonists Takeda Pharmaceutical Company Limited (JP) 2012-11-14 EP disclosed
US-8163935-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-04-24 US disclosed
US-8039500-B2 Fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-10-18 US disclosed
CN-101166729-B Fused heterocyclic compounds TAKAEDA CHEMICAL IND LTD 2011-08-31 CN disclosed
CN-1771231-B Calcium receptor modulating compounds and uses thereof TAKEDA CHEMICAL INDUSTRIES LTD 2011-05-25 CN disclosed
US-7897607-B2 Cyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-03-01 US disclosed
US-7714009-B2 Nitrogen-containing fused heterocyclic compounds TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-05-11 US disclosed
US-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS TAKEDA PHARMACEUTICAL COMPANY LIMITED 2010-02-25 US disclosed
EP-1293197-A1 PROCESS FOR PRODUCING PHOSPHOLIPID-CONTAINING DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-03-19 EP disclosed
EP-1268486-A2 FUSED HETEROCYCLIC DERIVATIVES, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2003-01-02 EP disclosed
US-6489351-B1 POSSESSES CELL DIFFERENTIATION INDUCING FACTOR ACTION-ENHANCING ACTIVITY AND ANTI-MATRIX METALLOPROTEASE ACTIVITY AND THAT IS USEFUL IN THE PREVENTION AND TREATMENT OF BONE DISEASES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-12-03 US disclosed
US-6391905-B1 4,5-DIHYDRO-8-METHYLTHIO-2-PHENYLFURO(3,4-E)BENZOTHIAZOLE-6-CA RBOXYLIC ACID, FOR EXAMPLE; ANTI-MATRIX METALLOPROTEASE ACTIVITY; FOR BONE DISEASES SUCH AS OSTEOPOROSIS, RHEUMATOID ARTHRITIS, CANCER METASTASIS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-05-21 US disclosed
US-20020049242-A1 Condensed 4,5,6,7-tetrahydrobenzo[C]thiopenes as enhancer for cell differentiation induction factor action TAKEDA PHARMACEUTICAL COMPANY, LIMITED (JP) 2002-04-25 US disclosed
WO-2001074823-A2 FUSED HETEROCYCLIC DERIVATIVES, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-10-11 WO disclosed
US-6242471-B1 BONE DISORDERS, OSTEOPOROSIS, RHEUMATOID ARTHRITIS, ARTERIOSCLEROSIS, CANCER METASTASIS, NERVOUS SYSTEM AND BRAIN DISORDERS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-06-05 US disclosed
US-6066658-A FOR PREVENTION AND TREATMENT OF BONE DISEASES SUCH AS OSTEOPOROSIS, BONE FRACTURES, OSTEOARTHRITIS AND RHEUMATOID ARTHRITIS, ARTERIOSCLEROSIS, CANCER METASTASIS, AND DISEASES BASED ON NERVE DEGENERATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2000-05-23 US disclosed
EP-0931074-A1 CONDENSED 4,5,6,7-TETRAHYDROBENZO C]THIOPHENES AS ENHANCER FOR CELL DIFFERENTIATION INDUCTION FACTOR ACTION Takeda Chemical Industries, Ltd. (JP) 1999-07-28 EP disclosed
WO-1998009958-A1 CONDENSED 4,5,6,7-TETRAHYDROBENZO[C]THIOPHENES AS ENHANCER FOR CELL DIFFERENTIATION INDUCTION FACTOR ACTION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-12 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-20100048658-A1 FUSED HETEROCYCLIC COMPOUNDS CRHR1, CRHR2, CRH KDM1A 1706/4885CYP11B1 225/4885CYP11B2 222/4885
US-20020049242-A1 Condensed 4,5,6,7-tetrahydrobenzo[C]thiopenes as enhancer for cell differentiation induction factor action ACIN1, NFE2, NFE2L2 KDM1A 2717/4885CYP11B1 682/4885CYP11B2 962/4885
US-20140155416-A1 SUBSTITUTED PYRAZOLO[1,5-A] PYRIMIDINES AS CALCIUM RECEPTOR MODULATING AGENTS CASR, NR2C2, RYR1 KDM1A 2680/4885CYP11B1 570/4885CYP11B2 615/4885

“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.