SCHEMBL6311069

SCHEMBL6311069

COC1CCc2ccccc2C1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP11B1 P15538 1/20 0.51
CYP11B2 P19099 1/20 0.51
CYP2B6 P20813 1/20 0.51
PLAU P00749 1/20 0.50
IDO1 P14902 2/20 0.48
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
HTR1A P08908 1/20 0.43
HTR2C P28335 1/20 0.43
SLC6A4 P31645 1/20 0.43
HTR2B P41595 1/20 0.43
ANPEP P15144 1/20 0.43
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42

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
SCHEMBL22524385 1.00 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL6570375 1.00 CYP1A2 (0.51) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL12348668 0.88 IDO1 (0.45) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL1944510 0.84 IDO1 (0.58) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL30275532 0.84 IDO1 (0.58) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL11852553 0.83 PLAU (0.54) PLAUIDO1MTNR1AMTNR1BHTR1A
SCHEMBL8230626 0.79 IDO1 (0.72) PLAUIDO1MTNR1AMTNR1BHTR1A
SCHEMBL10447404 0.79 CYP1A2 (0.55) CYP1A2CYP11B1CYP11B2PLAUIDO1
SCHEMBL4529303 0.77 CYP11B2 (0.54) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2
SCHEMBL18264462 0.77 FAAH (0.54) CYP1A2CYP3A4CYP2C9CYP11B1CYP11B2

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 18 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3251128-B1 FORMULATIONS WITH A LOW PARTICLE CONTENT MERCK PATENT GMBH (DE) 2023-06-14 EP disclosed
EP-2517274-B1 COMPOSITIONS COMPRISING POLYMERIC BINDERS MERCK PATENT GMBH (DE) 2017-05-24 EP disclosed
EP-3077475-A1 COMPOSITIONS CONTAINING A POLYMERIC BINDER WHICH COMPRISES ACRYLIC AND/OR METHACRYLIC ACID ESTER UNITS Merck Patent GmbH (DE) 2016-10-12 EP disclosed
WO-2015082037-A1 COMPOSITIONS CONTAINING A POLYMERIC BINDER WHICH COMPRISES ACRYLIC AND/OR METHACRYLIC ACID ESTER UNITS MERCK PATENT GMBH (DE) 2015-06-11 WO disclosed
US-7674788-B2 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-09 US disclosed
US-7674788-B2 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-03-09 US disclosed
US-20070287704-A1 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-13 US disclosed
US-20070287704-A1 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-12-13 US disclosed
US-6872743-B2 sPLA2 inhibitors ELI LILLY AND COMPANY (US) 2005-03-29 US disclosed
US-20040063941-A1 Novel spla2 inhibitors BEIGHT DOUGLAS WADE (US) 2004-04-01 US disclosed
EP-1345898-A2 TERACYCLIC CARBAZOLE DERIVATES AND THEIR USE AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2003-09-24 EP disclosed
CN-1105100-C Compounds with anti-inflammatory and immunosuppressive activity ITALFARMACO SPA (IT) 2003-04-09 CN disclosed
WO-2002050034-A2 TETRACYCLIC CARBAZOLE DERIVATES AND THEIR USE AS SPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 2002-06-27 WO disclosed
CN-1221403-A Compounds with anti-inflammatory and immunosuppressive activity ITALFARMACO SPA (IT) 1999-06-30 CN disclosed
EP-0204975-B1 PROCESS FOR PREPARING SUBSTITUTED TETRALONES ETHYL CORPORATION (US) 1991-07-17 EP disclosed
EP-0204975-A2 Process for preparing substituted tetralones ETHYL CORPORATION (US) 1986-12-17 EP disclosed
US-4603221-A 6-ALKOXYTETRALIN, TRANSITION METAL SALT, TERTIARY AMINE, AMMONIUM OR ALKALI METAL PERSULFATE, OXIDATION ETHYL CORPORATION (US) 1986-07-29 US disclosed
US-4294992-A Process for the production of alkyl aryl ethers THE SOUTHLAND CORPORATION (US) 1981-10-13 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 (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-20040063941-A1 Novel spla2 inhibitors PLA2G12A, PLAAT2, SPINT2 CYP1A2 2256/4885CYP3A4 3977/4885CYP2C9 4297/4885
US-20070287704-A1 7-amino-6-chloro-2-piperazin-1-yl-4-pyrrolidin-1-yl-pteridine; central nervous system, respiratory, gastrointestinal or inflammatory diseases; joints, skin or eyes diseases; cancer; phosphodiesterase 4 inhibitors PDE4A, PDE4B, PDE4C CYP1A2 208/4885CYP3A4 75/4885CYP2C9 220/4885

“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.