SCHEMBL15074677

SCHEMBL15074677

CCC(C)c1c[nH]c2cc(C)ccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 4/20 0.47
HTR2C P28335 2/20 0.45
HTR2B P41595 2/20 0.45
GPR84 Q9NQS5 3/20 0.44
NR3C1 P04150 2/20 0.43
NR4A2 P43354 1/20 0.42
PCSK9 Q8NBP7 1/20 0.40
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NR3C2 P08235 1/20 0.38
FFAR1 O14842 2/20 0.38
IDO1 P14902 1/20 0.38
TP53 P04637 2/20 0.37
MAPT P10636 2/20 0.37
HTR1D P28221 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ADRB3 P13945 1/20 0.36
KIF11 P52732 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL22417629 1.00 HTR2A (0.47) HTR2AHTR2CHTR2BGPR84NR3C1
SCHEMBL12824182 0.82 HTR2A (0.49) HTR2AHTR2CHTR2BGPR84NR3C1
SCHEMBL399231 0.82 HTR2A (0.47) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL9001725 0.82 HTR2A (0.44) HTR2AHTR2CHTR2BGPR84FFAR1
SCHEMBL27952998 0.81 HTR2A (0.43) HTR2AHTR2CHTR2BNR3C1NR4A2
SCHEMBL8957547 0.80 RORC (0.43) HTR2AHTR2CHTR2BGPR84NR3C1
SCHEMBL24912884 0.79 HTR2A (0.46) HTR2AHTR2CHTR2BGPR84NR3C1
SCHEMBL4406284 0.79 HTR2A (0.50) HTR2AHTR2CHTR2BGPR84NR3C1
SCHEMBL10070049 0.77 HTR2A (0.72) HTR2AHTR2CHTR2BGPR84NR3C1
SCHEMBL12671597 0.77 HTR2A (0.72) HTR2AHTR2CHTR2BGPR84NR3C1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3216787-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS Vertex Pharmaceuticals Incorporated (US) 2017-09-13 EP disclosed
EP-2502911-B1 Modulators of ATP-binding cassette transporters VERTEX PHARMA (US) 2017-04-05 EP disclosed
US-9399648-B2 Isothiazolopyridinones useful for the treatment of (inter alia) cystic fibrosis VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-07-26 US disclosed
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED 2015-11-05 US disclosed
US-20150293078-A1 COMPOUNDS USEFUL IN CFTR ASSAYS AND METHODS THEREWITH VERTEX PHARMACEUTICALS INCORPORATED 2015-10-15 US disclosed
US-9090619-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-07-28 US disclosed
US-9051324-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-06-09 US disclosed
US-8999976-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-04-07 US disclosed
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMA (US) 2015-03-05 US disclosed
US-20150031720-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS VERTEX PHARMACEUTICALS INCORPORATED (US) 2015-01-29 US disclosed
US-8552006-B2 Modulators of cystic fibrosis transmembrane conductance regulator VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-10-08 US disclosed
US-20130196983-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-08-01 US disclosed
US-20130165442-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-27 US disclosed
US-20130035327-A1 Modulators of ATP-Binding Cassette Transporters VERTEX PHARMACEUTICALS INCORPORATED 2013-02-07 US disclosed
US-8324242-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-12-04 US disclosed
US-8101767-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-01-24 US disclosed
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES Vertex Pharmaceuticals Incorported (US) 2011-04-28 US disclosed
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-12-03 US disclosed
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-09-10 US disclosed
US-7495103-B2 Modulators of ATP-binding cassette transporters VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-24 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 (9 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-20130165442-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 HTR2A 3159/4885HTR2C 4052/4885HTR2B 3414/4885
US-20090227797-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HTR2A 3159/4885HTR2C 4052/4885HTR2B 3414/4885
US-20130196983-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, ABCB1, ABCC2 HTR2A 3595/4885HTR2C 4360/4885HTR2B 3640/4885
US-20110098311-A1 COMPOSITIONS FOR TREATMENT OF CYSTIC FIBROSIS AND OTHER CHRONIC DISEASES CFTR, SLC26A4, ABCB11 HTR2A 3255/4885HTR2C 3008/4885HTR2B 2436/4885
US-20150065487-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HTR2A 3159/4885HTR2C 4052/4885HTR2B 3414/4885
US-20090298876-A1 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HTR2A 3159/4885HTR2C 4052/4885HTR2B 3414/4885
US-20150031720-A1 ISOTHIAZOLOPYRIDINONES USEFUL FOR THE TREATMENT OF (INTER ALIA) CYSTIC FIBROSIS CFTR, ABCB1, ABCC8 HTR2A 3909/4885HTR2C 4425/4885HTR2B 4268/4885
US-20150315186-A2 MODULATORS OF ATP-BINDING CASSETTE TRANSPORTERS CFTR, ABCB1, ABCC2 HTR2A 3159/4885HTR2C 4052/4885HTR2B 3414/4885
US-20130035327-A1 Modulators of ATP-Binding Cassette Transporters CFTR, ABCB1, ABCC2 HTR2A 3159/4885HTR2C 4052/4885HTR2B 3414/4885

“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.