SCHEMBL1014460

SCHEMBL1014460

Cc1nc2cc(C#N)ccc2n1[C@H]1CC[C@@H](N)CC1

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 10/20 0.57
MCHR1 Q99705 5/20 0.54
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
MAPT P10636 1/20 0.52
GFER P55789 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KCNH2 Q12809 1/20 0.52
CYP11B1 P15538 9/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
HSD11B1 P28845 1/20 0.46
CCNT1 O60563 1/20 0.44
CDK9 P50750 1/20 0.44

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
SCHEMBL1014458 1.00 CYP11B2 (0.57) CYP11B2MCHR1KDM4EALDH1A1MAPT
SCHEMBL1015561 0.83 KDM4E (0.57) CYP11B2MCHR1KDM4EALDH1A1MAPT
SCHEMBL1015559 0.83 KDM4E (0.57) CYP11B2MCHR1KDM4EALDH1A1MAPT
SCHEMBL12954964 0.83 KDM4E (0.57) CYP11B2MCHR1KDM4EALDH1A1MAPT
SCHEMBL13527908 0.82 KDM4E (0.75) MCHR1KDM4EALDH1A1MAPTGFER
SCHEMBL1014609 0.81 SMN1; SMN2 (0.58) CYP11B2MCHR1KDM4EALDH1A1MAPT
SCHEMBL1014610 0.81 SMN1; SMN2 (0.58) CYP11B2MCHR1KDM4EALDH1A1MAPT
SCHEMBL2637151 0.81 CYP11B2 (0.50) CYP11B2MCHR1KDM4EALDH1A1MAPT
SCHEMBL2637153 0.81 CYP11B2 (0.50) CYP11B2MCHR1KDM4EALDH1A1MAPT
SCHEMBL24463604 0.79 KDM4E (0.55) CYP11B2MCHR1KDM4EALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 CYP11B2 301/4885MCHR1 437/4885KDM4E 1949/4885

“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.