SCHEMBL3638564

SCHEMBL3638564

ClCc1ccc2c(c1)OCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.50
CHRM1 P11229 1/20 0.50
CHRNB2 P17787 1/20 0.50
CHRM3 P20309 1/20 0.50
CHRNA4 P43681 1/20 0.50
PDE2A O00408 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C19 P33261 1/20 0.38
KCNH2 Q12809 3/20 0.36
PRKCI P41743 1/20 0.36
CYP2D6 P10635 1/20 0.36
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
RAB9A P51151 1/20 0.35
PRKAB2 O43741 1/20 0.35
PRKAG1 P54619 1/20 0.35
PRKAA2 P54646 1/20 0.35

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
SCHEMBL28841018 0.89 KCNH2 (0.46) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL30940052 0.85 PRKCI (0.47) KCNH2PRKCIKDM1AMAOAMAOB
SCHEMBL3490885 0.85 PRKCI (0.47) KCNH2PRKCIKDM1AMAOAMAOB
SCHEMBL8167072 0.81 CHRM2 (0.54) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL2632210 0.81 CHRM2 (0.50) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL24459645 0.81 CHRM2 (0.50) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL3633962 0.81 CHRM2 (0.50) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL292129 0.81 CHRM2 (0.50) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL31630050 0.81 CHRM2 (0.50) CHRM2CHRM1CHRNB2CHRM3CHRNA4
SCHEMBL11020080 0.80 AKR1B1 (0.36) CHRM2CHRM1CHRNB2CHRM3CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2789606-B1 Modulators of CFTR VERTEX PHARMA (US) 2017-11-15 EP disclosed
EP-2789606-B1 Modulators of CFTR VERTEX PHARMA (US) 2017-11-15 EP disclosed
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 US disclosed
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 US disclosed
US-9725440-B2 Modulators of CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2017-08-08 US disclosed
CN-102863432-B CFTR conditioning agent 沃泰克斯药物股份有限公司 2016-09-07 CN disclosed
US-20150166516-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-18 US disclosed
US-20150166516-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-18 US disclosed
US-20150166516-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS (SAN DIEGO) LLC 2015-06-18 US disclosed
CN-104447716-A Modulators of CFTR VERTEX PHARMA 2015-03-25 CN disclosed
US-20150031708-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US disclosed
US-20150031708-A1 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED 2015-01-29 US disclosed
EP-2789606-A1 Modulators of CFTR Vertex Pharmaceuticals Incorporated (US) 2014-10-15 EP disclosed
EP-2789606-A1 Modulators of CFTR Vertex Pharmaceuticals Incorporated (US) 2014-10-15 EP disclosed
CN-101687842-B Modulators of CFTR VERTEX PHARMA 2013-03-06 CN disclosed
CN-102863432-A Modulators of cftr VERTEX PHARMA 2013-01-09 CN disclosed
CN-101687842-A modulators of cftr VERTEX PHARMA 2010-03-31 CN disclosed
EP-2164840-A2 MODULATORS OF CFTR Vertex Pharmaceuticals Incorporated (US) 2010-03-24 EP disclosed
WO-2008141119-A2 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-20 WO disclosed
WO-2008141119-A2 MODULATORS OF CFTR VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-11-20 WO 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-20150166516-A1 MODULATORS OF CFTR CFTR, ABCB1, ABCC4 CHRM2 2222/4885CHRM1 3155/4885CHRNB2 1570/4885
US-20150031708-A1 MODULATORS OF CFTR CFTR, ABCB1, ABCC4 CHRM2 2222/4885CHRM1 3155/4885CHRNB2 1570/4885

“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.