SCHEMBL2127322

SCHEMBL2127322

Cc1cc(OCCCBr)cc(C)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.41
▸ CASP1 P29466 1/20 0.41
▸ CASP7 P55210 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ MAOA P21397 2/20 0.35
▸ MAOB P27338 2/20 0.35
▸ LMNA P02545 3/20 0.35
▸ MAPT P10636 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ TSHR P16473 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP19A1 P11511 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ GAA P10253 1/20 0.33

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
SCHEMBL17911632 0.79 KCNA3 (0.38) MAOAMAOBMAPTNPC1RAB9A
SCHEMBL15464534 0.78 TP53 (0.49) ALDH1A1MAOAMAOBLMNAMAPT
SCHEMBL23074667 0.77 ALDH1A1 (0.46) ALDH1A1CASP1CASP7HSD17B10LMNA
SCHEMBL16523502 0.75 ALDH1A1 (0.45) ALDH1A1HSD17B10MAOAMAOBLMNA
SCHEMBL23067906 0.75 DRD2 (0.50) ALDH1A1CASP1CASP7HSD17B10TSHR
SCHEMBL10928257 0.74 ALDH1A1 (0.50) ALDH1A1HSD17B10MAOAMAOBL3MBTL1
SCHEMBL16540096 0.73 MCL1 (0.56) ALDH1A1HSD17B10LMNAMAPTKDM4E
SCHEMBL23067921 0.73 HTR1B (0.52) ALDH1A1CASP1CASP7HSD17B10LMNA
SCHEMBL22831353 0.73 KCNH2 (0.46) ALDH1A1CASP1CASP7HSD17B10LMNA
SCHEMBL22831349 0.73 MAPT (0.58) ALDH1A1MAPTKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2121137-B1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2012-04-25 — — EP disclosed
US-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-05-06 — — US disclosed
US-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-05-06 — — US disclosed
US-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2010-05-06 — — US disclosed
EP-2121137-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS AstraZeneca AB (SE) 2009-11-25 — — EP disclosed
WO-2008075005-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-06-26 — — WO disclosed
WO-2008075005-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS ASTRAZENECA AB (SE) 2008-06-26 — — 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 (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-20100113510-A1 QUINUCLIDINOL DERIVATIVES AS MUSCARINIC RECEPTOR ANTAGONISTS CHRM2, CHRM1, CHRM3 ALDH1A1 2364/4885CASP1 4492/4885CASP7 4316/4885

“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.

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