SCHEMBL95476

SCHEMBL95476

[CH2]CN1CCc2ccccc2C1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.53
ALDH1A1 P00352 1/20 0.53
MAOA P21397 2/20 0.52
MAOB P27338 2/20 0.52
HDAC3 O15379 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
NCOR2 Q9Y618 1/20 0.50
HTR1A P08908 3/20 0.49
HTR7 P34969 3/20 0.49
DRD3 P35462 3/20 0.49
HTR2A P28223 2/20 0.49
HTR2B P41595 2/20 0.49
CARM1 Q86X55 1/20 0.49
DRD2 P14416 1/20 0.49
HTR2C P28335 1/20 0.49
HRH1 P35367 1/20 0.49
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47

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
SCHEMBL771991 0.84 ADRA1D (0.47) KDM4EALDH1A1MAOAMAOBCARM1
SCHEMBL95301 0.84 KDM4E (0.58) KDM4EALDH1A1MAOAMAOBHDAC3
SCHEMBL19823077 0.83 KDM4E (0.56) KDM4EALDH1A1MAOAMAOBHDAC3
SCHEMBL96852 0.81 HTR7 (0.59) KDM4EALDH1A1HDAC3HDAC1HDAC8
SCHEMBL19677028 0.81 KDM4E (0.54) KDM4EALDH1A1MAOAMAOBHDAC3
SCHEMBL96037 0.80 HTR7 (0.61) HDAC3HDAC1HDAC8NCOR2HTR1A
SCHEMBL24122123 0.79 KDM4E (0.53) KDM4EALDH1A1MAOAMAOBHDAC3
SCHEMBL13271050 0.79 KDM4E (0.53) KDM4EALDH1A1MAOAMAOBHDAC3
SCHEMBL14067117 0.79 HDAC3 (0.54) KDM4EALDH1A1MAOAMAOBHDAC3
SCHEMBL153999 0.79 MAOA (0.57) KDM4EALDH1A1MAOAMAOBHTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US claimed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP claimed
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR JAPAN TOBACCO INC. (JP) 2012-03-22 US disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-7977331-B1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2011-07-12 US disclosed
CN-101068810-B Carbostyril compound OTSUKA PHARMA CO LTD 2011-02-09 CN disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
EP-2206715-A1 Fused heterotetracyclic compounds and use thereof as hcv polymerase inhibitor Japan Tobacco, Inc. (JP) 2010-07-14 EP disclosed
EP-1719773-A1 FUSED HETEROTETRACYCLIC COMPOUNDS AND USE TEHREOF AS HCV POLYMERASE INHIBITOR Japan Tobacco, Inc. (JP) 2006-11-08 EP disclosed
US-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2006-07-27 US disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 WO disclosed
US-5276150-A Vasodilators, anticoagulants, calcium channel blockers FUJIREBIO INC. (JP) 1994-01-04 US disclosed
EP-0400660-A1 1,4-dihydropyridine derivatives FUJIREBIO INC. (JP) 1990-12-05 EP disclosed
US-4197243-A ANTIPSYCHOTICS, STRONG CNS DEPRESSANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-04-08 US disclosed
US-4197243-A ANTIPSYCHOTICS, STRONG CNS DEPRESSANTS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1980-04-08 US disclosed
US-4097487-A CNS DEPRESSANTS, ANTIPSYCHOTICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1978-06-27 US disclosed
US-4097487-A CNS DEPRESSANTS, ANTIPSYCHOTICS YAMANOUCHI PHARMACEUTICAL CO., LTD. (JA) 1978-06-27 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 (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-20060167246-A1 Thienopyrrole compound and use thereof as HCV polymerase inhibitor TPMT, JAK2, GTF3C5 KDM4E 1949/4885ALDH1A1 351/4885MAOA 1998/4885
US-20120070409-A1 TETRACYCLIC FUSED HETEROCYCLIC COMPOUND AND USE THEREOF AS HCV POLYMERASE INHIBITOR POLI, TERT, ZC3HAV1 KDM4E 2725/4885ALDH1A1 750/4885MAOA 2994/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KDM4E 3919/4885ALDH1A1 2458/4885MAOA 4581/4885

“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.