SCHEMBL1013379

SCHEMBL1013379

O=CC1Cc2ccc(C(F)(F)F)cc2C1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 4/20 0.50
TDP2 O95551 1/20 0.42
AADAT Q8N5Z0 1/20 0.41
PARP1 P09874 1/20 0.39
PARP10 Q53GL7 1/20 0.39
HTR2A P28223 6/20 0.37
HTR2C P28335 6/20 0.37
HTR2B P41595 6/20 0.37
CTSD P07339 1/20 0.37
NOTUM Q6P988 1/20 0.36
NAMPT P43490 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
SCHEMBL7185682 0.84 TRPV1 (0.36) PNMT
SCHEMBL25025870 0.77 PNMT (0.53) PNMTTDP2AADATPARP1PARP10
SCHEMBL19816882 0.77 PNMT (0.53) PNMTTDP2AADATCTSD
SCHEMBL20651228 0.77 PNMT (0.53) PNMTTDP2AADATHTR2AHTR2C
SCHEMBL1016672 0.77 ACHE (0.41) PARP1PARP10HTR2AHTR2B
SCHEMBL5609703 0.76 PNMT (0.49) PNMTTDP2AADATPARP1PARP10
Hydrochloric Acid SCHEMBL29991812 0.76 PNMT (0.51) PNMTTDP2AADATCTSD
Hydrochloric Acid SCHEMBL26650313 0.76 PNMT (0.51) PNMTTDP2AADATCTSD
SCHEMBL1016128 0.75 PNMT (0.47) PNMTTDP2AADATNOTUM
SCHEMBL25086300 0.74 PNMT (0.50) PNMTTDP2AADATHTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101541760-B Diaminocyclohexane and diaminocyclopentane derivatives HOFFMAN-LA ROCHE LTD. (CH) 2012-02-08 CN disclosed
EP-2089368-B1 DIAMINOCYCLOHEXANE AND DIAMINOCYCLOPENTANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
EP-2089368-B1 DIAMINOCYCLOHEXANE AND DIAMINOCYCLOPENTANE DERIVATIVES HOFFMANN LA ROCHE (CH) 2011-01-12 EP disclosed
US-7652053-B2 Diaminocycloalkane MCH receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-7652053-B2 Diaminocycloalkane MCH receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-01-26 US disclosed
US-7652053-B2 Diaminocycloalkane MCH receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2010-01-26 US disclosed
CN-101541760-A Diaminocyclohexane and diaminocyclopentane derivatives HOFFMANN LA ROCHE (CH) 2009-09-23 CN disclosed
EP-2089368-A1 DIAMINOCYCLOHEXANE AND DIAMINOCYCLOPENTANE DERIVATIVES F. Hoffmann-Roche AG (CH) 2009-08-19 EP disclosed
US-20080146636-A1 For therapy of obesity, hyperphagia, anxiety, depression and related disorders and diseases; cis-(S)-2-(1-{4-[(5-Bromo-indan-2-ylmethyl)-amino]-cyclohexyl}-5-chloro-1H-benzoimidazol-2-yl)-propan-2-ol ERICKSON SHAWN DAVID 2008-06-19 US disclosed
US-20080146636-A1 For therapy of obesity, hyperphagia, anxiety, depression and related disorders and diseases; cis-(S)-2-(1-{4-[(5-Bromo-indan-2-ylmethyl)-amino]-cyclohexyl}-5-chloro-1H-benzoimidazol-2-yl)-propan-2-ol ERICKSON SHAWN DAVID 2008-06-19 US disclosed
US-20080146636-A1 For therapy of obesity, hyperphagia, anxiety, depression and related disorders and diseases; cis-(S)-2-(1-{4-[(5-Bromo-indan-2-ylmethyl)-amino]-cyclohexyl}-5-chloro-1H-benzoimidazol-2-yl)-propan-2-ol ERICKSON SHAWN DAVID 2008-06-19 US disclosed
WO-2008065021-A1 DIAMINOCYCLOHEXANE AND DIAMINOCYCLOPENTANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-05 WO disclosed
WO-2008065021-A1 DIAMINOCYCLOHEXANE AND DIAMINOCYCLOPENTANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2008-06-05 WO disclosed
CN-1208323-C Alpha-substituted carboxylic acid derivatives SANKYO CO (JP) 2005-06-29 CN disclosed
CN-1090627-C New 2-amino-1,2-indene compounds, process for their preparation and pharmaceutical compositions containing them SEUER LAB (FR) 2002-09-11 CN disclosed
CN-1353694-A Alpha-substituted carboxylic acid derivatives SANKYO CO (JP) 2002-06-12 CN disclosed
CN-1194983-A New 2-amino-1,2-indene compounds, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1998-10-07 CN 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-20080146636-A1 For therapy of obesity, hyperphagia, anxiety, depression and related disorders and diseases; cis-(S)-2-(1-{4-[(5-Bromo-indan-2-ylmethyl)-amino]-cyclohexyl}-5-chloro-1H-benzoimidazol-2-yl)-propan-2-ol GPR119, GIPR, EBP PNMT 128/4885TDP2 3508/4885AADAT 84/4885

“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.