SCHEMBL1012326

SCHEMBL1012326

NC1CCC(n2cnc3ccccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.57
SLC6A4 P31645 1/20 0.57
OPRM1 P35372 1/20 0.53
OPRL1 P41146 1/20 0.53
KMT2A Q03164 1/20 0.50
ALDH1A1 P00352 1/20 0.48
DDB1 Q16531 1/20 0.48
CRBN Q96SW2 1/20 0.48
IKZF3 Q9UKT9 1/20 0.48
USP2 O75604 1/20 0.47
PKM P14618 1/20 0.47
JAK1 P23458 1/20 0.47
HTT P42858 2/20 0.44
LMNA P02545 1/20 0.44
TSHR P16473 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD17B10 Q99714 1/20 0.41
GAA P10253 1/20 0.41
CYP17A1 P05093 1/20 0.41
GLRA3 O75311 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
SCHEMBL432010 0.91 DRD2 (0.65) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL17728454 0.90 DRD2 (0.51) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL17374211 0.85 DRD2 (0.51) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL17374212 0.85 DRD2 (0.51) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL3931858 0.84 DRD2 (0.61) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL11562405 0.84 DRD2 (0.61) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL6211429 0.83 OPRM1 (0.63) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL17728360 0.81 OPRM1 (0.49) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL11077040 0.81 DRD2 (0.58) DRD2SLC6A4OPRM1OPRL1KMT2A
SCHEMBL3290233 0.80 DRD2 (0.57) DRD2SLC6A4OPRM1OPRL1KMT2A

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 3 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-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

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 DRD2 330/4885SLC6A4 165/4885OPRM1 20/4885

“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.