SCHEMBL851601

SCHEMBL851601

CC[C@H]1CN2CC[C@H]1C[C@H]2[C@H](OC(C)(C)C)c1ccnc2ccc(OC)cc12

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 9/20 0.75
KDM4E B2RXH2 6/20 0.75
ALDH1A1 P00352 5/20 0.75
HSD17B10 Q99714 5/20 0.75
CYP3A4 P08684 4/20 0.75
ADRA2A P08913 4/20 0.75
SLC6A4 P31645 4/20 0.75
OPRM1 P35372 4/20 0.75
KCNH2 Q12809 4/20 0.75
HPGD P15428 3/20 0.75
TSHR P16473 2/20 0.75
MEN1 O00255 2/20 0.75
KMT2A Q03164 2/20 0.75
SLC6A3 Q01959 2/20 0.75
CHRM2 P08172 1/20 0.75
SCN1A P35498 4/20 0.61
SCN2A Q99250 4/20 0.61
SCN3A Q9NY46 4/20 0.61
LMNA P02545 1/20 0.60
CALCRL Q16602 2/20 0.56

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
SCHEMBL89434 1.00 CYP2D6 (0.75) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL14478711 1.00 CYP2D6 (0.75) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL89117 1.00 CYP2D6 (0.75) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL1322372 0.91 CYP2D6 (0.80) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL10066282 0.91 CYP2D6 (0.80) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL17543192 0.91 CYP2D6 (0.80) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL522675 0.91 CYP2D6 (0.80) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL17543030 0.91 CYP2D6 (0.80) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL10066281 0.91 CYP2D6 (0.80) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4
SCHEMBL14479807 0.90 CYP2D6 (0.80) CYP2D6KDM4EALDH1A1HSD17B10CYP3A4

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
EP-2714687-B1 PROCESS FOR THE PREPARATION OF PALIPERIDONE CIPLA LTD (IN) 2017-02-15 EP claimed
CN-113099718-B Imidazole/thiol polymerization initiation system 登士柏希罗纳有限公司 2024-02-13 CN disclosed
CN-113099718-A Initiation system for imidazole/thiol polymerization 登士柏希罗纳有限公司 2021-07-09 CN disclosed
US-20120196927-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR METABOLIC SYNDROME ERINA CO., INC. (JP) 2012-08-02 US disclosed
EP-2434010-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR METABOLIC SYNDROME Erina Co. Inc. (JP) 2012-03-28 EP disclosed
EP-1468072-A1 FERMENTED HERBAL HEALTH DRINK FROM PLANT ANDROGRAPHIS COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH; An Indian Registered Body Incorporated Under The Registration of Societies Act; (IN) 2004-10-20 EP disclosed
US-6616950-B2 Also containing extract from barley, wheat, and/or fruit and ethanol, and optionally an extract from Tinospora; useful as an antioxidant, cardiotonic, diuretic, digestive, choleretic, nervine relaxant and immunomodulant COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-09-09 US disclosed
WO-2003062367-A1 FERMENTED HERBAL HEALTH DRINK FROM PLANT $i(ANDROGRAPHIS) COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-07-31 WO disclosed
US-20030138509-A1 FERMENTED HERBAL HEALTH DRINK FROM PLANT ANDROGRAPHIS COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2003-07-24 US disclosed
US-5461080-A Using vapor phase antioxidant VYREX CORPORATION (US) 1995-10-24 US disclosed
US-4387311-A CALCIUM CARBONATE, GLASS FIBERS, ALUMINUM HYDROXIDE HITACHI, LTD. (JP) 1983-06-07 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 (1 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-20120196927-A1 PROPHYLACTIC AND/OR THERAPEUTIC AGENT FOR METABOLIC SYNDROME FABP4, GYS1, CPT1B CYP2D6 3053/4885KDM4E 3563/4885ALDH1A1 1977/4885

“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.