SCHEMBL1014610

SCHEMBL1014610

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

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
MAPK1 P28482 3/20 0.58
HTT P42858 3/20 0.58
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 2/20 0.57
L3MBTL1 Q9Y468 2/20 0.57
GAA P10253 1/20 0.57
CYP11B1 P15538 3/20 0.55
CYP11B2 P19099 3/20 0.55
MAPT P10636 1/20 0.54
GFER P55789 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
PKM P14618 2/20 0.54
MCHR1 Q99705 2/20 0.51
KCNH2 Q12809 1/20 0.51
GLA P06280 1/20 0.50
UBE2N P61088 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
HSD17B10 Q99714 1/20 0.50
USP2 O75604 1/20 0.47

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
SCHEMBL1014609 1.00 SMN1; SMN2 (0.58) SMN1; SMN2MAPK1HTTALDH1A1KDM4E
SCHEMBL21390931 0.87 ALDH1A1 (0.62) SMN1; SMN2MAPK1HTTALDH1A1KDM4E
SCHEMBL1015561 0.86 KDM4E (0.57) SMN1; SMN2MAPK1HTTALDH1A1KDM4E
SCHEMBL1015559 0.86 KDM4E (0.57) SMN1; SMN2MAPK1HTTALDH1A1KDM4E
SCHEMBL12954964 0.86 KDM4E (0.57) SMN1; SMN2MAPK1HTTALDH1A1KDM4E
SCHEMBL13527908 0.84 KDM4E (0.75) SMN1; SMN2MAPK1HTTALDH1A1KDM4E
Hydrochloric Acid SCHEMBL31587373 0.82 CCR3 (0.62) SMN1; SMN2MAPK1HTTALDH1A1KDM4E
SCHEMBL1014458 0.81 CYP11B2 (0.57) ALDH1A1KDM4EL3MBTL1CYP11B1CYP11B2
SCHEMBL1014460 0.81 CYP11B2 (0.57) ALDH1A1KDM4EL3MBTL1CYP11B1CYP11B2
SCHEMBL13543527 0.78 SMN1; SMN2 (0.53) SMN1; SMN2MAPK1HTTALDH1A1KDM4E

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
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
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

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 SMN1; SMN2 3793/4885MAPK1 2437/4885HTT 530/4885

“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.