SCHEMBL3128385

SCHEMBL3128385

OC=CCC1CNCCO1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 10/20 0.36
SLC6A3 Q01959 9/20 0.36
SLC6A4 P31645 8/20 0.36
HTR2A P28223 4/20 0.36
HTR2B P41595 2/20 0.36
ADRB2 P07550 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA2C P18825 1/20 0.36
HRH1 P35367 1/20 0.31
OPRD1 P41143 1/20 0.31
OPRK1 P41145 1/20 0.31
HTR3A P46098 1/20 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
SCHEMBL146480 0.81 SLC6A2 (0.36) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL3309551 0.81 SLC6A2 (0.39) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL3306691 0.79 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL25267337 0.79 SLC6A2 (0.35) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL400952 0.78
SCHEMBL3307559 0.77 HTR2A (0.39) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL16767730 0.77 SLC6A2 (0.36) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL11027408 0.77 ADRA2C (0.42) SLC6A2SLC6A3SLC6A4HTR2AHTR2B
SCHEMBL15173596 0.76
SCHEMBL299620 0.76

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
US-4179423-A TERTIARY AMINE, TRIOL, TRICARBOXYLIC ACID ANHYDRIDE SCHENECTADY CHEMICALS, INC. (US) 1979-12-18 US claimed
US-9914709-B2 Compositions and methods of treating HIV-1 infections using same YALE UNIVERSITY (US) 2018-03-13 US disclosed
US-9631045-B2 Polycarbodiimides having onium salt groups PPG INDUSTRIES OHIO, INC. (US) 2017-04-25 US disclosed
US-8981005-B2 Coating compositions that include onium salt group containing polycarbodiimides PPG INDUSTRIES OHIO, INC. (US) 2015-03-17 US disclosed
US-20140378443-A1 Novel Compositions and Methods of Treating HIV-1 Infections Using Same YALE UNIVERSITY 2014-12-25 US disclosed
US-20100204515-A1 POLYCARBODIIMIDES HAVING ONIUM SALT GROUPS PPG INDUSTRIES OHIO, INC. (US) 2010-08-12 US disclosed
US-20100204414-A1 COATING COMPOSITIONS THAT INCLUDE ONIUM SALT GROUP CONTAINING POLYCARBODIIMIDES PPG INDUSTRIES OHIO, INC. (US) 2010-08-12 US disclosed
EP-1301572-B1 AN ARTICLE HAVING A CHIP-RESISTANT ELECTRODEPOSITED COATING AND A PROCESS FOR FORMING AN ELECTRODEPOSITED COATING PPG IND OHIO INC (US) 2005-09-07 EP disclosed
CN-1665858-A Cathodic electrocoating compositions containing morpholine dione blocked polyisocyanate crosslinkers DU PONT (US) 2005-09-07 CN disclosed
EP-1082394-B1 A PROCESS FOR FORMING A TWO-COAT ELECTRODEPOSITED COMPOSITE COATING, THE COMPOSITE COATING AND CHIP RESISTANT ELECTRODEPOSITED COATING COMPOSITION PPG IND OHIO INC (US) 2004-09-15 EP disclosed
EP-0303555-B1 Preparation of a metallic chelate of ethanol aminophosphoric acid and medicament KOEHLER CHEMIE DR FRANZ (DE) 1994-06-15 EP disclosed
EP-0426826-B1 SUBSTITUTED ISOXAZOLIDINES AND ISOXAZOLINES PHARMACIA AB (SE) 1994-04-27 EP disclosed
US-5212305-A Cyclization and forming a carbon-nitrogen bond KABI PHARMACIA AKTIBOLAG (SE) 1993-05-18 US disclosed
US-5155220-A Simplified production of plaque inhibitor KABI PHARMACIA AKTIEBOLAG (SE) 1992-10-13 US disclosed
EP-0426826-A1 SUBSTITUTED ISOXAZOLIDINES AND ISOXAZOLINES. PHARMACIA AB (SE) 1991-05-15 EP disclosed
WO-1990014342-A1 SUBSTITUTED ISOXAZOLIDINES AND ISOXAZOLINES PHARMACIA AB (SE) 1990-11-29 WO disclosed
EP-0303555-A2 Preparation of a metallic chelate of ethanol aminophosphoric acid and medicament Dr. Franz Köhler Chemie GmbH (DE) 1989-02-15 EP disclosed
US-4582904-A REACTING ORGANIC HYDROXY COMPOUND WITH AMMONIA OR AMINE COMPOUND AIR PRODUCTS AND CHEMICALS, INC. (US) 1986-04-15 US disclosed
US-4560798-A SELF CONDENSATION OF ETHANOLAMINE;HIGH SELECTIVITY AIR PRODUCTS AND CHEMICALS, INC. (US) 1985-12-24 US disclosed
US-4048338-A Aqueous cosmetic composition containing amine oxides COLGATE-PALMOLIVE COMPANY (US) 1977-09-13 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-20140378443-A1 Novel Compositions and Methods of Treating HIV-1 Infections Using Same CCR5, CCL5, CX3CR1 SLC6A2 4284/4885SLC6A3 4218/4885SLC6A4 4641/4885
US-20100204515-A1 POLYCARBODIIMIDES HAVING ONIUM SALT GROUPS CA7, HDAC6, HDAC10 SLC6A2 2010/4885SLC6A3 1101/4885SLC6A4 1157/4885

“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.