SCHEMBL663629

SCHEMBL663629

C=CC[CH]c1cc2ccccc2[nH]1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.61
MAPT P10636 3/20 0.46
IDO1 P14902 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
MAPK1 P28482 1/20 0.46
CYP2C19 P33261 1/20 0.46
GRIN2D O15399 1/20 0.44
GRIN3B O60391 1/20 0.44
GRIN1 Q05586 1/20 0.44
GRIN2A Q12879 1/20 0.44
GRIN2B Q13224 1/20 0.44
GRIN2C Q14957 1/20 0.44
GRIN3A Q8TCU5 1/20 0.44
AMY1A P0DUB6 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.43
AOC3 Q16853 2/20 0.42
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40

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
SCHEMBL232201 0.81 CYP2A6 (0.60) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL895740 0.80 CYP2A6 (0.64) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL29396424 0.80 CYP2A6 (0.64) CYP2A6MAPTIDO1NPSR1CYP1A2
Phosphine SCHEMBL29222824 0.79 CYP2A6 (0.62) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL29222843 0.77 CYP2A6 (0.66) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL1707444 0.77 CYP2A6 (0.60) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL7371792 0.76 CYP2A6 (0.55) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL7271231 0.76 CYP2A6 (0.55) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL4966959 0.76 CYP2A6 (0.55) CYP2A6MAPTIDO1NPSR1CYP1A2
SCHEMBL98455 0.76 CYP2A6 (1.00) CYP2A6MAPTIDO1NPSR1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6391917-B1 ANALGESIC ZYMOGENETICS, INC. 2002-05-21 US claimed
US-6255351-B1 TREATMENT OF BONE DISORDERS ZYMOGENETICS, INC. 2001-07-03 US claimed
US-6221913-B1 Dialkyl ureas as calcitonin mimetics ZYMOGENETICS, INC. 2001-04-24 US claimed
EP-0975589-A2 DIALKYL UREAS AS CALCITONIN MIMETICS ZymoGenetics, Inc. (US) 2000-02-02 EP claimed
WO-1999037604-A2 DIALKYL UREAS AS CALCITONIN MIMETICS ZYMOGENETICS, INC. (US) 1999-07-29 WO claimed
EP-2762150-A1 Treatment of Diabetes and Metabolic Syndrome Nordic Bioscience A/S (DK) 2014-08-06 EP disclosed
EP-2405934-B1 Treatment of diabetes and metabolic syndrome NORDIC BIOSCIENCE AS (DK) 2014-03-26 EP disclosed
US-20120046224-A1 TREATMENT OF DIABETES AND METABOLIC SYNDROME NORDIC BIOSCIENCE A/S (DK) 2012-02-23 US disclosed
EP-2405934-A1 Treatment of diabetes and metabolic syndrome Nordic Bioscience A/S (DK) 2012-01-18 EP disclosed
WO-2010103045-A1 TREATMENT OF DIABETES AND METABOLIC SYNDROME NORDIC BIOSCIENCE A/S (DK) 2010-09-16 WO disclosed
EP-1505156-B1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester CONSORTIUM ELEKTROCHEM IND (DE) 2005-12-07 EP disclosed
US-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters CONSORTIUM FUR ELEKTROCHEMISCHE INDUSTRIE GMBH 2005-02-10 US disclosed
EP-1505156-A1 Process for the enantioselective preparation of secondary alcohols by lipase catalysed solvolysis of the corresponding acetoacetic acid ester Consortium für elektrochemische Industrie GmbH (DE) 2005-02-09 EP disclosed
US-6391917-B1 ANALGESIC ZYMOGENETICS, INC. 2002-05-21 US disclosed
US-6255351-B1 TREATMENT OF BONE DISORDERS ZYMOGENETICS, INC. 2001-07-03 US disclosed
US-6221913-B1 Dialkyl ureas as calcitonin mimetics ZYMOGENETICS, INC. 2001-04-24 US disclosed
EP-0975589-A2 DIALKYL UREAS AS CALCITONIN MIMETICS ZymoGenetics, Inc. (US) 2000-02-02 EP disclosed
WO-1999037604-A2 DIALKYL UREAS AS CALCITONIN MIMETICS ZYMOGENETICS, INC. (US) 1999-07-29 WO 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 (2 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-20050032182-A1 Process for the enantioselective preparation of secondary alcohols by lipase-catalyzed solvolysis of the corresponding acetoacetic esters LIPC, LIPE, LIPA CYP2A6 296/4885MAPT 4496/4885IDO1 4255/4885
US-20120046224-A1 TREATMENT OF DIABETES AND METABOLIC SYNDROME IAPP, GLP1R, CALCA CYP2A6 3328/4885MAPT 3406/4885IDO1 4268/4885

“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.