SCHEMBL14636458

SCHEMBL14636458

Clc1cc(OC2CC2)ccn1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ROCK1 Q13464 2/20 0.40
OPRK1 P41145 2/20 0.38
KCNH2 Q12809 2/20 0.38
OPRM1 P35372 1/20 0.38
RECQL P46063 1/20 0.37
LOX P28300 1/20 0.37
LOXL3 P58215 1/20 0.37
LOXL2 Q9Y4K0 1/20 0.37
SLC6A4 P31645 3/20 0.37
SLC6A2 P23975 2/20 0.37
SLC6A3 Q01959 2/20 0.37
IKBKB O14920 1/20 0.36
FDPS P14324 1/20 0.36
KMO O15229 1/20 0.36
LNPEP Q9UIQ6 5/20 0.36
LRRK2 Q5S007 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
SCHEMBL31678696 1.00 ROCK1 (0.40) ROCK1OPRK1KCNH2OPRM1RECQL
SCHEMBL17396860 0.93 LOX (0.40) ROCK1OPRK1KCNH2OPRM1LOX
SCHEMBL190777 0.91 LOX (0.45) LOXLOXL2FDPSKMOLNPEP
SCHEMBL2596263 0.88 PDE2A (0.41) LRRK2
SCHEMBL30187757 0.88 ROCK1 (0.55) ROCK1IKBKB
SCHEMBL13806585 0.88 ROCK1 (0.55) ROCK1IKBKB
SCHEMBL12234578 0.85 HRH3 (0.47) ROCK1LNPEPLRRK2
SCHEMBL23975906 0.84 KMO (0.40) ROCK1OPRK1KCNH2OPRM1RECQL
SCHEMBL31678745 0.84 KMO (0.40) ROCK1OPRK1KCNH2OPRM1RECQL
SCHEMBL30694895 0.84 SLC6A4 (0.57) ROCK1KCNH2SLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250270190-A1 KIT INHIBITORS BLUEPRINT MEDICINES CORPORATION 2025-08-28 US disclosed
EP-2948458-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2019-05-01 EP disclosed
EP-2734529-B1 BTK INHIBITORS MERCK SHARP & DOHME (US) 2018-09-05 EP disclosed
US-9718828-B2 BTK Inhibitors MERCK SHARP & DOHME CORP. (US) 2017-08-01 US disclosed
US-20170008899-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-01-12 US disclosed
US-9481682-B2 Substituted benzamides and substituted pyridinecarboxamides as Btk inhibitors MERCK SHARP & DOHME CORP. (US) 2016-11-01 US disclosed
US-20150353570-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-12-10 US disclosed
EP-2948458-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2015-12-02 EP disclosed
US-20140221333-A1 BTK INHIBITORS MERCK SHARP & DOHME B.V. (NL) 2014-08-07 US disclosed
WO-2014113932-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
WO-2014114185-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2014-07-31 WO disclosed
US-20140206681-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. 2014-07-24 US disclosed
EP-2734529-A1 BTK INHIBITORS Merck Sharp & Dohme Corp. (US) 2014-05-28 EP disclosed
WO-2013010380-A1 BTK INHIBITORS MERCK SHARP & DOHME CORP. (US) 2013-01-24 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 (5 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-20170008899-A1 BTK INHIBITORS BTK, SYK, ABL1 ROCK1 623/4885OPRK1 4552/4885KCNH2 2861/4885
US-20250270190-A1 KIT INHIBITORS KIT, ABL1, APC ROCK1 208/4885OPRK1 2303/4885KCNH2 1068/4885
US-20140206681-A1 BTK INHIBITORS BTK, SYK, LYN ROCK1 240/4885OPRK1 4545/4885KCNH2 2330/4885
US-20150353570-A1 BTK INHIBITORS BTK, SYK, LYN ROCK1 240/4885OPRK1 4545/4885KCNH2 2330/4885
US-20140221333-A1 BTK INHIBITORS BTK, SYK, ABL1 ROCK1 631/4885OPRK1 4559/4885KCNH2 2735/4885

“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.