SCHEMBL577377

SCHEMBL577377

COc1ccc2c(c1)[C]CCC2

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD1 P21728 6/20 0.42
DRD2 P14416 6/20 0.42
DRD3 P35462 6/20 0.42
DRD5 P21918 5/20 0.42
DRD4 P21917 4/20 0.42
KDM1A O60341 1/20 0.41
CA2 P00918 1/20 0.41
CA5A P35218 1/20 0.41
BCL2 P10415 1/20 0.40
CHRNA7 P36544 1/20 0.39
POLB P06746 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38

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
SCHEMBL7951555 0.89 DRD2 (0.43) DRD1DRD2DRD3DRD5DRD4
SCHEMBL585204 0.86 BCL2 (0.43) DRD1DRD2DRD3DRD5DRD4
SCHEMBL577943 0.74 CYP3A4 (0.45) DRD1DRD2DRD3DRD5DRD4
SCHEMBL3117291 0.74 BCL2 (0.46) DRD1DRD2DRD3DRD5DRD4
SCHEMBL30299229 0.72 DRD1 (0.62) DRD1DRD2DRD3DRD5DRD4
SCHEMBL1506557 0.72 DRD1 (0.62) DRD1DRD2DRD3DRD5DRD4
SCHEMBL577378 0.72 DRD1 (0.62) DRD1DRD2DRD3DRD5DRD4
SCHEMBL31028084 0.72 DRD1 (0.62) DRD1DRD2DRD3DRD5DRD4
SCHEMBL3108863 0.72 KDM1A (0.41) KDM1A
SCHEMBL1451512 0.72 MAOA (0.39) DRD1DRD2DRD3DRD5DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2921473-B1 1-CYAN-1-(7-METHOXYL-1-NAPHTYL) METHANOL ESTER COMPOUND AND PREPARATION METHOD AND USE THEREOF JIANGXI SYNERGY PHARMACEUTICAL CO LTD (CN) 2017-09-27 EP claimed
EP-1734961-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2006-12-27 EP claimed
US-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors ELAN PHARMACEUTICALS, INC. 2005-10-27 US claimed
WO-2005087714-A2 METHODS OF TREATMENT OF AMYLOIDOSIS USING BI-CYCLIC ASPARTYL PROTEASE INHIBITORS ELAN PHARMACEUTICALS, INC. (US) 2005-09-22 WO claimed
EP-0354094-B1 INDOLONE DERIVATIVES, THEIR PREPARATION AND THEIR THERAPEUTICAL USE SYNTHELABO (FR) 1991-12-27 EP claimed
US-5010079-A Treatment of psychological disorders SYNTHELABO (FR) 1991-04-23 US claimed
US-4963680-A INTERMEDIATES FOR THERAPEUTIC DRUGS SYNTHELABO (FR) 1990-10-16 US claimed
JP-2073062-A None JP disclosed
JP-2073075-A None JP disclosed
US-9284307-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS LLC (US) 2016-03-15 US disclosed
US-8993595-B2 Macrocyclic serine protease inhibitors IDENIX PHARMACEUTICALS, INC. (US) 2015-03-31 US disclosed
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS IDENIX PHARMACEUTICALS, INC. (US) 2013-08-29 US disclosed
EP-1948649-B1 FUNGICIDAL CARBOXAMIDES DU PONT (US) 2013-06-26 EP disclosed
US-5010079-A Treatment of psychological disorders SYNTHELABO (FR) 1991-04-23 US disclosed
US-5010079-A Treatment of psychological disorders SYNTHELABO (FR) 1991-04-23 US disclosed
US-4963680-A INTERMEDIATES FOR THERAPEUTIC DRUGS SYNTHELABO (FR) 1990-10-16 US disclosed
US-4963680-A INTERMEDIATES FOR THERAPEUTIC DRUGS SYNTHELABO (FR) 1990-10-16 US disclosed
JP-H0273062-A INDOLONE DERIVATIVE, ITS PREPARATION, AND DRUG CONTAINING IT SYNTHELABO SA 1990-03-13 JP disclosed
JP-H0273075-A PIPERAZINE DERIVATIVE AND ITS PREPARATION SYNTHELABO SA 1990-03-13 JP disclosed
EP-0354094-A1 Indolone derivatives, their preparation and their therapeutical use SYNTHELABO (FR) 1990-02-07 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 (2 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-20050239832-A1 Methods of treatment of amyloidosis using bi-cyclic aspartyl protease inhibitors APP, DNPEP, BACE1 DRD1 4863/4885DRD2 4885/4885DRD3 4879/4885
US-20130224147-A1 MACROCYCLIC SERINE PROTEASE INHIBITORS SERPINB1, SPINT2, PRSS1 DRD1 4699/4885DRD2 4735/4885DRD3 4654/4885

“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.