SCHEMBL199876

SCHEMBL199876

CCCc1cccc(CCC)c1N1[C]N(c2c(CCC)cccc2CCC)C=C1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DAO P14920 1/20 0.37
GABRA1 P14867 2/20 0.32
GABRB2 P47870 2/20 0.32
GRM5 P41594 1/20 0.32
HTR2A P28223 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31

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
SCHEMBL254055 0.76 DAO (0.35) DAOGABRA1GABRB2GRM5HTR2A
SCHEMBL16167311 0.73 DAO (0.36) DAOGABRA1GABRB2GRM5HTR2A
Hydrochloric Acid SCHEMBL929583 0.72 DAO (0.35) DAOGABRA1GABRB2GRM5HTR2A
SCHEMBL2014395 0.69 DRD2 (0.39) DAOHTR2AHTR2CHTR2B
SCHEMBL29488434 0.69 ADRA2B (0.44) DAOGABRA1GABRB2
SCHEMBL142479 0.69 ADRA2B (0.44) DAOGABRA1GABRB2
SCHEMBL1155762 0.69 CYP2A6 (0.38)
SCHEMBL3772536 0.68 MGLL (0.53) DAO
SCHEMBL1452942 0.67 ALDH1A1 (0.41) DAOGABRA1GABRB2GRM5
SCHEMBL9839840 0.66 ADRA2B (0.43) DAOGABRA1GABRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8088346-B2 Alkene hydrofunctionalization reactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-01-03 US claimed
US-20090069580-A1 Alkene Hydrofunctionalization Reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 US claimed
US-9357772-B2 Antimicrobial cationic polycarbonates INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2016-06-07 US disclosed
EP-2983692-A1 ANTIMICROBIAL CATIONIC POLYCARBONATES International Business Machines Corporation (US) 2016-02-17 EP disclosed
EP-2983679-A2 ANTIMICROBIAL CATIONIC POLYCARBONATES International Business Machines Corporation (US) 2016-02-17 EP disclosed
US-8962772-B2 Antimicrobial surface modified silicone rubber and methods of preparation thereof INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2015-02-24 US disclosed
US-20150005457-A1 ANTIMICROBIAL SURFACE MODIFIED SILICONE RUBBER AND METHODS OF PREPARATION THEREOF INTERNATIONAL BUSINESS MACHINES CORPORATION 2015-01-01 US disclosed
WO-2014168762-A1 ANTIMICROBIAL CATIONIC POLYCARBONATES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-10-16 WO disclosed
WO-2014168771-A2 ANTIMICROBIAL CATIONIC POLYCARBONATES INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 2014-10-16 WO disclosed
US-20140301968-A1 ANTIMICROBIAL CATIONIC POLYCARBONATES AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2014-10-09 US disclosed
US-8088346-B2 Alkene hydrofunctionalization reactions UNIVERSITY OF UTAH RESEARCH FOUNDATION (US) 2012-01-03 US disclosed
US-20090069580-A1 Alkene Hydrofunctionalization Reactions NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-03-12 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-20090069580-A1 Alkene Hydrofunctionalization Reactions ADH1A, ADH1C, ADH5 DAO 274/4885GABRA1 2634/4885GABRB2 1628/4885
US-20140301968-A1 ANTIMICROBIAL CATIONIC POLYCARBONATES VDR, GC, CYP24A1 DAO 2336/4885GABRA1 3679/4885GABRB2 3480/4885

“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.