SCHEMBL1789890

SCHEMBL1789890

COc1cc(C(=O)NC2CCN(Cc3[nH]c4ccccc4c3Cl)CC2)cc(OC)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 6/20 0.53
SSTR5 P35346 3/20 0.53
ACHE P22303 2/20 0.52
KMT2A Q03164 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
DRD4 P21917 3/20 0.48
DRD2 P14416 2/20 0.48
DRD3 P35462 2/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
ADRA2A P08913 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2C9 P11712 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR2A P28223 1/20 0.48
HTR2C P28335 1/20 0.48
ADRA1A P35348 1/20 0.48

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
SCHEMBL1787153 0.93 SSTR5 (0.55) MCHR1SSTR5ACHEKMT2AKDM4E
SCHEMBL1784905 0.83 SOS1 (0.59) MCHR1SSTR5ACHEKMT2ADRD4
SCHEMBL1789399 0.82 MCHR1 (0.76) MCHR1ACHEKMT2ADRD4DRD2
SCHEMBL1787246 0.79 MCHR1 (0.54) MCHR1SSTR5ACHEKMT2AKDM4E
SCHEMBL1787608 0.77 SSTR5 (0.58) MCHR1SSTR5ACHEDRD4
SCHEMBL12614652 0.77 SSTR5 (0.58) MCHR1SSTR5KMT2AKDM4EALDH1A1
SCHEMBL1786360 0.76 SSTR5 (0.53) MCHR1SSTR5ACHEALDH1A1DRD4
SCHEMBL1788399 0.76 MCHR1 (0.58) MCHR1SSTR5ACHEKMT2AKDM4E
SCHEMBL1790544 0.76 SSTR5 (0.57) MCHR1SSTR5ACHEKMT2AKDM4E
SCHEMBL1787698 0.75 MCHR1 (0.49) MCHR1SSTR5ACHEKMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE BANYU PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
EP-2319841-A1 (5-MEMBERED)-(5-MEMBERED) OR (5-MEMBERED)-(6-MEMBERED) FUSED RING CYCLOALKYLAMINE DERIVATIVE MSD K.K. (JP) 2011-05-11 EP 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-20110124674-A1 5/5-OR 5/6-MEMBERED CONDENSED RING CYCLOALKYLAMINE DERIVATIVE MCHR1, MC5R, MCHR2 MCHR1 1/4885SSTR5 22/4885ACHE 2306/4885

“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.