SCHEMBL1015074

SCHEMBL1015074

CC(C)(C)OC(=O)NC1CCC(NC2Cc3ccccc3C2)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.63
MAOB P27338 1/20 0.63
EPHX2 P34913 1/20 0.60
DRD2 P14416 4/20 0.56
NAMPT P43490 1/20 0.49
KMT2A Q03164 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
KCNA3 P22001 1/20 0.46
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
MTNR1A P48039 2/20 0.46
MTNR1B P49286 2/20 0.46
BTK Q06187 3/20 0.43
DRD3 P35462 1/20 0.43
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
CACNB4 O00305 1/20 0.41
CACNA1A O00555 1/20 0.41

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
SCHEMBL1015075 1.00 KDM1A (0.63) KDM1AMAOBEPHX2DRD2NAMPT
SCHEMBL1015676 1.00 KDM1A (0.63) KDM1AMAOBEPHX2DRD2NAMPT
SCHEMBL173219 0.88 EPHX2 (0.69) KDM1AMAOBEPHX2DRD2NAMPT
SCHEMBL31694392 0.88 EPHX2 (0.69) KDM1AMAOBEPHX2DRD2NAMPT
SCHEMBL28019743 0.84 KDM1A (0.58) KDM1AMAOBEPHX2DRD2KMT2A
SCHEMBL28616805 0.84 KDM1A (0.58) KDM1AMAOBEPHX2DRD2KMT2A
SCHEMBL29565539 0.84 MTNR1A (0.66) KDM1AMAOBEPHX2DRD2NAMPT
SCHEMBL3682479 0.84 MTNR1A (0.66) KDM1AMAOBEPHX2DRD2NAMPT
SCHEMBL3702152 0.79 BTK (0.61) KDM1AMAOBEPHX2DRD2KMT2A
SCHEMBL10343938 0.79 BTK (0.61) KDM1AMAOBEPHX2DRD2KMT2A

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-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
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
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 KDM1A 2696/4885MAOB 307/4885EPHX2 2216/4885

“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.