SCHEMBL5451036

SCHEMBL5451036

CC(=O)c1cn(CCCN2CCCN(Cc3ccccc3Cl)CC2)c2c(C#N)cccc12

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
RAB9A P51151 2/20 0.47
GALR3 O60755 1/20 0.47
PKM P14618 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
TSHR P16473 3/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
DRD4 P21917 1/20 0.37
MEN1 O00255 1/20 0.37
RET P07949 1/20 0.37
HTR7 P34969 2/20 0.37
HTR1A P08908 1/20 0.37
DRD2 P14416 1/20 0.37
HTR2A P28223 1/20 0.37
CNR2 P34972 1/20 0.36
FAAH O00519 1/20 0.36

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
SCHEMBL5452539 0.90 PKM (0.45) ALDH1A1RAB9APKMKMT2AKDM4E
SCHEMBL5447887 0.88 PKM (0.44) ALDH1A1RAB9APKMKMT2AKDM4E
SCHEMBL5441820 0.88 ALDH1A1 (0.43) ALDH1A1RAB9AGALR3KDM4ETSHR
SCHEMBL5333900 0.88 PKM (0.43) ALDH1A1RAB9APKMKMT2AKDM4E
SCHEMBL5448661 0.88 PKM (0.43) ALDH1A1RAB9APKMKMT2AKDM4E
SCHEMBL14410865 0.85 CNR2 (0.46) ALDH1A1PKMKMT2AKDM4ESMN1; SMN2
SCHEMBL5446533 0.85 ALDH1A1 (0.42) ALDH1A1RAB9AGALR3KDM4ETSHR
SCHEMBL5447026 0.84 ABCC1 (0.44) ALDH1A1RAB9AGALR3KMT2AHRH3
SCHEMBL5457439 0.80 CNR1 (0.43) ALDH1A1PKMKMT2AKDM4EHTR2A
SCHEMBL5446845 0.80 HTR1A (0.43) ALDH1A1RAB9AGALR3KMT2AKDM4E

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
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR ALDH1A1 2963/4885RAB9A 1072/4885GALR3 108/4885

“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.