SCHEMBL6628045

SCHEMBL6628045

CC(=O)c1c(C)ccnc1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CSNK1A1 P48729 1/20 0.38
CSNK1D P48730 1/20 0.38
CLK2 P49760 1/20 0.38
CSNK1G1 Q9HCP0 1/20 0.38
ALDH1A1 P00352 3/20 0.38
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CCR5 P51681 6/20 0.37
CCR1 P32246 1/20 0.37
CCR8 P51685 1/20 0.37
THRB P10828 1/20 0.37
NOS3 P29474 2/20 0.35
NOS2 P35228 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
P2RX7 Q99572 1/20 0.35
POLB P06746 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
KDM4E B2RXH2 1/20 0.35
KMT2A Q03164 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
SCHEMBL31662998 1.00 CSNK1A1 (0.38) CSNK1A1CSNK1DCLK2CSNK1G1ALDH1A1
SCHEMBL353204 0.83 KDM4E (0.40) ALDH1A1CCR5CCR1CCR8SMN1; SMN2
Hydrochloric Acid SCHEMBL4249059 0.81 KDM4E (0.39) ALDH1A1CCR5CCR1CCR8SMN1; SMN2
SCHEMBL31606794 0.81 SIRT3 (0.46) CCR5CCR1CCR8NOS3NOS2
SCHEMBL161321 0.81 SIRT3 (0.46) CCR5CCR1CCR8NOS3NOS2
SCHEMBL9504653 0.81 KDM4E (0.39) ALDH1A1CCR5CCR1CCR8SMN1; SMN2
SCHEMBL411769 0.81 ITGB1 (0.36) ALDH1A1CCR5CCR1CCR8NOS3
SCHEMBL17692459 0.79 SMN1; SMN2 (0.37) CSNK1A1CSNK1DCLK2CSNK1G1ALDH1A1
Hydrochloric Acid SCHEMBL3283632 0.79 ITGB1 (0.36) ALDH1A1CCR5CCR1CCR8NOS3
Hydrochloric Acid SCHEMBL5012204 0.79 NTRK1 (0.44) CCR5CCR1CCR8NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION THE BROAD INSTITUTE, INC. (US) 2023-05-11 US disclosed
EP-2865446-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL KANTO KAGAKU (JP) 2021-09-22 EP disclosed
US-9944634-B2 Pyrazolopyridine derivatives as TTX-S blockers RAQUALIA PHARMA INC. (JP) 2018-04-17 US disclosed
US-9174906-B2 Process for producing optically active secondary alcohol KANTO KAGAKU KABUSHIKI KAISHA (JP) 2015-11-03 US disclosed
US-20150291582-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS RAQUALIA PHARMA INC. (JP) 2015-10-15 US disclosed
EP-2865446-A1 Process for producing optically active secondary alcohol Kanto Kagaku Kabushiki Kaisha (JP) 2015-04-29 EP disclosed
US-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL NATIONAL UNIVERSITY CORPORATION HOKKAIDO UNIVERSITY (JP) 2015-01-29 US disclosed
EP-0974602-B1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR CORP (JP) 2004-01-02 EP disclosed
US-6291596-B1 CONTACTING OLEFINICALLY UNSATURATED COMPOUND WITH HYDROGEN IN THE PRESENCE OF A HYDROGENATION CATALYST COMPRISING TITANIUM OR ZIRCONIUM OR HAFNIUM COMPOUND IN AN INERT, ORGANIC SOLVENT JSR CORPORATION (JP) 2001-09-18 US disclosed
EP-0974602-A1 Catalyst and process for hydrogenating olefinically unsaturated compound JSR Corporation (JP) 2000-01-26 EP disclosed
US-4127583-A Preparation of 3-(pyridinyl)-2-cyclohexene-1-ones STERLING DRUG INC. (US) 1978-11-28 US disclosed
US-4111946-A Preparation of 3-(pyridinyl)-2-cyclohexen-1-ones STERLING DRUG INC. (US) 1978-09-05 US disclosed
US-4075217-A Conversion of 3-(pyridinyl)-2-cyclohexen-1-one to 3-(pyridinyl)anilines STERLING DRUG INC. (US) 1978-02-21 US disclosed
US-4026900-A 3-(Pyridinyl)-2-cyclohexen-1-ones STERLING DRUG INC. (US) 1977-05-31 US disclosed
US-3969363-A CARDIOVASCULAR DISORDERS CASSELLA FARBWERKE MAINKUR AKTIENGESELLSCHAFT (DT) 1976-07-13 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-20230142508-A1 COMPOUNDS AND METHODS FOR REGULATING INSULIN SECRETION IAPP, GPR119, PNLIP CSNK1A1 1049/4885CSNK1D 2347/4885CLK2 1232/4885
US-20150031920-A1 PROCESS FOR PRODUCING OPTICALLY ACTIVE SECONDARY ALCOHOL ADH1A, ADH1C, ADH5 CSNK1A1 1430/4885CSNK1D 2170/4885CLK2 1112/4885
US-20150291582-A1 PYRAZOLOPYRIDINE DERIVATIVES AS TTX-S BLOCKERS SCN5A, KCNH2, CACNA1G CSNK1A1 4299/4885CSNK1D 3895/4885CLK2 4650/4885

“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.