SCHEMBL1644281

SCHEMBL1644281

CC1(C)CC(NCc2ccccc2)CCC1O

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN2B Q13224 3/20 0.49
MEN1 O00255 1/20 0.49
RAB9A P51151 1/20 0.49
KMT2A Q03164 1/20 0.49
OPRM1 P35372 2/20 0.48
OPRL1 P41146 2/20 0.48
ACHE P22303 4/20 0.45
BACE1 P56817 4/20 0.45
BCHE P06276 2/20 0.45
FYN P06241 1/20 0.45
CARM1 Q86X55 1/20 0.43
PRMT6 Q96LA8 1/20 0.43
FUCA1 P04066 2/20 0.43
EBP Q15125 1/20 0.42

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
SCHEMBL20825939 0.84 GRIN2B (0.49) GRIN2BMEN1RAB9AKMT2AOPRM1
SCHEMBL20825938 0.80 NPY1R (0.52) GRIN2BMEN1RAB9AKMT2AOPRM1
SCHEMBL20825940 0.80 NPY1R (0.52) GRIN2BMEN1RAB9AKMT2AOPRM1
SCHEMBL20818825 0.80 NPY1R (0.52) GRIN2BMEN1RAB9AKMT2AOPRM1
Methyl Alcohol SCHEMBL27513196 0.79 GRIN2B (0.67) GRIN2BMEN1RAB9AKMT2AOPRM1
SCHEMBL7213327 0.78 OPRM1 (0.57) GRIN2BMEN1RAB9AKMT2AOPRM1
SCHEMBL663239 0.77 GRIN2B (0.74) GRIN2BMEN1RAB9AKMT2AOPRM1
SCHEMBL14657362 0.76 GRIN2B (0.62) GRIN2BMEN1RAB9AKMT2AOPRM1
SCHEMBL5246474 0.76 GRIN2B (0.62) GRIN2BMEN1RAB9AKMT2AOPRM1
Hydrochloric Acid SCHEMBL2550113 0.75 MEN1 (0.78) GRIN2BMEN1RAB9AKMT2AOPRM1

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
CN-110582485-B Pyrazole derivatives as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2023-10-13 CN disclosed
EP-3589618-B1 PYRAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-12-28 EP disclosed
EP-3589618-B1 PYRAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE IP NO 2 LTD (GB) 2022-12-28 EP disclosed
US-10966961-B2 Pyrazole derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-04-06 US disclosed
US-10966961-B2 Pyrazole derivatives as bromodomain inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2021-04-06 US disclosed
CN-110582485-A Pyrazole derivatives as bromodomain inhibitors 葛兰素史克知识产权第二有限公司 2019-12-17 CN disclosed
WO-2018158212-A1 PYRAZOLE DERIVATIVES AS BROMODOMAIN INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY (NO.2) LIMITED (GB) 2018-09-07 WO disclosed
EP-2493856-B1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN LA ROCHE (CH) 2016-04-27 EP disclosed
EP-2493856-B1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN LA ROCHE (CH) 2016-04-27 EP disclosed
US-8716316-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2014-05-06 US disclosed
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-05-23 US disclosed
US-8389536-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-8389536-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
US-8389536-B2 Positive allosteric modulators (PAM) HOFFMANN-LA ROCHE INC. (US) 2013-03-05 US disclosed
EP-2493856-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. Hoffmann-La Roche AG (CH) 2012-09-05 EP disclosed
WO-2011051201-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. HOFFMANN-LA ROCHE AG (CH) 2011-05-05 WO disclosed
WO-2011051201-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) F. HOFFMANN-LA ROCHE AG (CH) 2011-05-05 WO disclosed
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE, INC. 2011-04-28 US disclosed
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE, INC. 2011-04-28 US disclosed
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) HOFFMANN-LA ROCHE, INC. 2011-04-28 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 (3 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-10966961-B2 Pyrazole derivatives as bromodomain inhibitors BRD3, BRD4, BRPF3 GRIN2B 1091/4885MEN1 3706/4885RAB9A 2462/4885
US-20110098313-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 GRIN2B 21/4885MEN1 4037/4885RAB9A 2271/4885
US-20130131056-A1 POSITIVE ALLOSTERIC MODULATORS (PAM) GRM5, GRM1, GRM2 GRIN2B 21/4885MEN1 4037/4885RAB9A 2271/4885

“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.