SCHEMBL9208736

SCHEMBL9208736

COc1ccc2c(c1)OC(CN)CO2

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.60
FFAR1 O14842 2/20 0.50
GAA P10253 1/20 0.46
MAPT P10636 1/20 0.46
POLB P06746 1/20 0.46
ALOX5 P09917 5/20 0.44
ALDH1A1 P00352 1/20 0.43
SLC6A2 P23975 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CA2 P00918 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 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
SCHEMBL9206095 1.00 MTNR1A (0.60) MTNR1AFFAR1GAAMAPTPOLB
Hydrochloric Acid SCHEMBL7829817 0.98 MTNR1A (0.58) MTNR1AFFAR1GAAMAPTPOLB
Hydrochloric Acid SCHEMBL7829814 0.98 MTNR1A (0.58) MTNR1AFFAR1GAAMAPTPOLB
SCHEMBL21198181 0.87 NPC1 (0.49) MTNR1AFFAR1MAPTALDH1A1MEN1
SCHEMBL6982719 0.85 MTNR1A (0.63) MTNR1AFFAR1GAAMAPTPOLB
SCHEMBL7199006 0.85 MTNR1A (0.60) MTNR1AFFAR1GAAMAPTPOLB
SCHEMBL29444764 0.85 MTNR1A (0.63) MTNR1AFFAR1GAAMAPTPOLB
SCHEMBL1870686 0.85 MTNR1A (0.63) MTNR1AFFAR1GAAMAPTPOLB
SCHEMBL11219443 0.82 MTNR1A (0.64) MTNR1AFFAR1GAAMAPTPOLB
Hydrochloric Acid SCHEMBL7825070 0.81 MTNR1A (0.59) MTNR1AFFAR1GAAMAPTALOX5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070117788-A1 Combination of a dopamine D2-receptor agonist and tiotropium or a derivative therof for treating obstructive airways and other inflammatory diseases BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-05-24 US disclosed
EP-0520674-B1 Antipsychotic benzodioxan derivatives AMERICAN HOME PROD (US) 1995-08-16 EP disclosed
EP-0658160-A1 ANTIPSYCHOTIC QUINOLINE DERIVATIVES OF BENZODIOXANMETHYLAMINE AMERICAN HOME PRODUCTS CORPORATION (US) 1995-06-21 EP disclosed
WO-1994005655-A1 ANTIPSYCHOTIC QUINOLINE DERIVATIVES OF BENZODIOXANMETHYLAMINE AMERICAN HOME PRODUCTS CORPORATION (US) 1994-03-17 WO disclosed
US-5235055-A Antipsychotic quinoline derivatives of benzodioxanmethylamine AMERICAN HOME PRODUCTS CORPORATION (US) 1993-08-10 US disclosed
US-5189171-A Antipsychotic benzodioxan derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1993-02-23 US disclosed
EP-0520674-A1 Antipsychotic benzodioxan derivatives AMERICAN HOME PRODUCTS CORPORATION (US) 1992-12-30 EP disclosed
US-5166367-A Anxiolytic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-11-24 US disclosed
US-5126366-A Antidepressants, antipsychotics, anxiolytic agents AMERICAN HOME PRODUCTS CORPORATION (US) 1992-06-30 US disclosed
US-4206125-A ADENERGIC BLOCKING AGENTS, HYPOTENSIVES RICHARDSON-MERRELL INC. (US) 1980-06-03 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-20070117788-A1 Combination of a dopamine D2-receptor agonist and tiotropium or a derivative therof for treating obstructive airways and other inflammatory diseases CHRM2, ADRB2, CHRM3 MTNR1A 36/4885FFAR1 969/4885GAA 1864/4885

“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.