SCHEMBL5954553

SCHEMBL5954553

CC(C)C1=Cc2ncccc2C1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ABCC4 O15439 1/20 0.31
PTGS1 P23219 1/20 0.31
HTT P42858 1/20 0.30
CHRM2 P08172 1/20 0.30
CHRM4 P08173 1/20 0.30
CHRM5 P08912 1/20 0.30
CHRM1 P11229 1/20 0.30
CHRM3 P20309 1/20 0.30
HRH1 P35367 1/20 0.30

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
SCHEMBL12094093 0.76 HSP90AA1 (0.35) HTT
SCHEMBL30848588 0.71 KDM4E (0.33) CHRM1
SCHEMBL13086354 0.70
SCHEMBL14339845 0.70 ALDH1A1 (0.30)
Hydrochloric Acid SCHEMBL8317645 0.69 CYP11B2 (0.39)
SCHEMBL13859949 0.69 TSHR (0.35) HTTCHRM2CHRM1HRH1
SCHEMBL1577597 0.68 PTGS2 (0.41)
SCHEMBL27587040 0.67 PTGS2 (0.40)
SCHEMBL7093600 0.67 CYP11B1 (0.41) HTT
SCHEMBL7095208 0.67 CYP11B1 (0.47)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS UNIVERSITY OF OULU (FI) 2023-10-12 US disclosed
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE AQUINNAH PHARMACEUTICALS INC (US) 2023-09-28 US disclosed
US-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF TEMPEST THERAPEUTICS, INC. 2023-07-27 US disclosed
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS AXOVANT SCIENCES GMBH (CH) 2017-12-28 US disclosed
US-8889674-B2 Piperidine and pyrrolidine derivatives having NPY Y5 receptor antagonism SHIONOGI & CO., LTD. (JP) 2014-11-18 US disclosed
US-20140205537-A1 LRRK2 INHIBITORS ZENOBIA THERAPEUTICS, INC. (US) 2014-07-24 US disclosed
US-8178553-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2012-05-15 US disclosed
US-20110319412-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISM SHIONOGI & CO., LTD. (JP) 2011-12-29 US disclosed
US-20100120838-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS SCHERING CORPORATION 2010-05-13 US disclosed
US-7683088-B2 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION (US) 2010-03-23 US disclosed
US-20070265299-A1 Compounds for the treatment of inflammatory disorders SCHERING CORPORATION 2007-11-15 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 (8 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-20230234943-A1 TREX1 INHIBITORS AND USES THEREOF FEN1, ERCC4, DCLRE1B ABCC4 770/4885PTGS1 1239/4885HTT 1669/4885
US-20230322721-A1 TRIAZOLE DERIVATIVES AND THEIR USE AS TANKYRASE INHIBITORS CBR3, GBA3, TECR ABCC4 1557/4885PTGS1 367/4885HTT 3449/4885
US-20230303489-A1 COMPOUNDS, COMPOSITIONS AND METHODS OF USE FUS, TFEB, CLN6 ABCC4 3332/4885PTGS1 1201/4885HTT 56/4885
US-20100120838-A1 COMPOUNDS FOR THE TREATMENT OF INFLAMMATORY DISORDERS ADAMTS1, ADAMTS13, ADAMTS7 ABCC4 2993/4885PTGS1 144/4885HTT 887/4885
US-20140205537-A1 LRRK2 INHIBITORS LRRK2, PARK7, MAP2 ABCC4 4259/4885PTGS1 4170/4885HTT 303/4885
US-20070265299-A1 Compounds for the treatment of inflammatory disorders ADAMTS1, ADAMTS13, ADAMTS7 ABCC4 2993/4885PTGS1 144/4885HTT 887/4885
US-20170369486-A1 GEMINAL SUBSTITUTED QUINUCLIDINE AMIDE COMPOUNDS AS AGONISTS OF ALPHA-7 NICOTONIC ACETYLCHOLINE RECEPTORS CHRNA7, CHRNA6, CHRNA5 ABCC4 1874/4885PTGS1 3783/4885HTT 1527/4885
US-20110319412-A1 PIPERIDINE AND PYRROLIDINE DERIVATIVES HAVING NPY Y5 RECEPTOR ANTAGONISM NPY5R, NPY1R, NPY2R ABCC4 3083/4885PTGS1 2998/4885HTT 3268/4885

“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.