SCHEMBL2263908

SCHEMBL2263908

CCNCC1CNCCO1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 8/20 0.42
SLC6A3 Q01959 6/20 0.42
SLC6A4 P31645 6/20 0.42
HTR2A P28223 2/20 0.42
ADRB2 P07550 1/20 0.42
HTR1A P08908 1/20 0.42
ADRA1A P35348 1/20 0.42
HTR2B P41595 1/20 0.42
ADRA2C P18825 1/20 0.39
KCNH2 Q12809 3/20 0.34
CHEK1 O14757 3/20 0.33
JAK1 P23458 1/20 0.33
ZAP70 P43403 1/20 0.33
SYK P43405 1/20 0.33
BTK Q06187 1/20 0.33
LRRK2 Q5S007 1/20 0.33
AURKB Q96GD4 1/20 0.33
PDE6D O43924 1/20 0.33
PDE6A P16499 1/20 0.33
PDE6G P18545 1/20 0.33

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
Hydrochloric Acid SCHEMBL10514623 0.98 SLC6A2 (0.41) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL19195916 0.83 GNAI3 (0.34) SLC6A2SLC6A3SLC6A4HTR2AADRB2
Diethylamine SCHEMBL11134021 0.81 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL10511691 0.81 SLC6A2 (0.40) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL7516930 0.81 GNAI3 (0.47) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL20997961 0.80 SLC6A4 (0.36) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL23710059 0.80
Dimethylamine SCHEMBL1976791 0.80 SLC6A2 (0.44) SLC6A2SLC6A3SLC6A4HTR2AADRB2
SCHEMBL2264746 0.80
Hydrochloric Acid SCHEMBL10513395 0.78 SLC6A4 (0.40) SLC6A2SLC6A3SLC6A4HTR2AADRB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9440976-B2 1,7-diazacarbazoles and methods of use GENENTECH, INC. (US) 2016-09-13 US disclosed
WO-2016081679-A1 HETEROARYL COMPOUNDS AS IRAK INHIBITORS AND USES THEREOF MERCK PATENT GMBH (DE) 2016-05-26 WO disclosed
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2015-11-19 US disclosed
US-8993523-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2015-03-31 US disclosed
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE GENENTECH, INC. (US) 2014-06-19 US disclosed
US-20130309247-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-11-21 US disclosed
EP-2651917-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
EP-2651919-A1 DIMERIC IAP INHIBITORS Novartis AG (CH) 2013-10-23 EP disclosed
US-20130266590-A1 DIMERIC IAP INHIBITORS NOVARTIS AG (CH) 2013-10-10 US disclosed
US-8445440-B2 Dimeric IAP inhibitors NOVARTIS AG (CH) 2013-05-21 US disclosed
US-5723648-A Intermediates for anti-microbial benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1998-03-03 US disclosed
EP-0823413-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1998-02-11 EP disclosed
US-5591744-A 1,4-DIHYDRO-4-OXOQUINOLINE-3-CARBOXYLATE DERIVATIVES; MICROBIOCIDES OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1997-01-07 US disclosed
US-5563138-A 4-OXOQUINOLINE-3-CARBOXYLIC ACID COMPOUNDS HAVING ANTIMICROBIAL ACTIVITY OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-10-08 US disclosed
EP-0287951-B1 7-Piperazinyl- or 7-Morpholino-4-oxo-quinoline-3-carboxylic acid derivatives, their preparation and their use as antimicrobial agents OTSUKA PHARMA CO LTD (JP) 1996-07-03 EP disclosed
US-5495020-A CHEMICAL INTERMEDIATE FOR BACTERICIDES, MICROBIOCIDES, DISINFECTANTS; SIDE EFFECT REDUCTION, ABSORPTION OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1996-02-27 US disclosed
US-5290934-A Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-03-01 US disclosed
EP-0565132-A2 Benzoheterocyclic compounds OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-10-13 EP disclosed
US-4889857-A BACTERICIDES; SIDE EFFECT REDUCTION YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JP) 1989-12-26 US disclosed
EP-0311948-A2 Quinolonecarboxylic acid compounds and pharmaceutical use thereof Yoshitomi Pharmaceutical Industries, Ltd. (JP) 1989-04-19 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 (4 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-20130309247-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 SLC6A2 4830/4885SLC6A3 4871/4885SLC6A4 4874/4885
US-20130266590-A1 DIMERIC IAP INHIBITORS XIAP, BIRC5, BIRC2 SLC6A2 4814/4885SLC6A3 4839/4885SLC6A4 4840/4885
US-20150328195-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B SLC6A2 4789/4885SLC6A3 4578/4885SLC6A4 4840/4885
US-20140171407-A1 1,7-DIAZACARBAZOLES AND METHODS OF USE CHEK1, CHEK2, BUB1B SLC6A2 4789/4885SLC6A3 4578/4885SLC6A4 4840/4885

“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.