SCHEMBL5452479

SCHEMBL5452479

CCc1cccc2c(C(C)=O)cn(CCCN3CCN(Cc4ccc(Cl)cc4Cl)CC3)c12

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 2/20 0.43
POLB P06746 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SIGMAR1 Q99720 2/20 0.42
MAPT P10636 2/20 0.41
TSHR P16473 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP2A13 Q16696 1/20 0.41
HTR1A P08908 2/20 0.40
HTR7 P34969 2/20 0.40
HTR6 P50406 2/20 0.40
CACNA1G O43497 1/20 0.39
LMNA P02545 1/20 0.38

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
SCHEMBL5446466 0.91 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBTDP1SIGMAR1
SCHEMBL5447887 0.88 PKM (0.44) ALDH1A1KDM4ESIGMAR1CYP2A13
SCHEMBL5441820 0.88 ALDH1A1 (0.43) ALDH1A1KDM4EPOLBTDP1SIGMAR1
SCHEMBL5453680 0.83 HTR3E (0.44) ALDH1A1KDM4EPOLBTDP1SIGMAR1
SCHEMBL5452539 0.82 PKM (0.45) ALDH1A1KDM4ESIGMAR1
SCHEMBL5447266 0.81 MEN1 (0.50) ALDH1A1
SCHEMBL5333900 0.80 PKM (0.43) ALDH1A1KDM4ESIGMAR1
SCHEMBL5444504 0.80 POLB (0.47) POLBMAPK1CACNA1GLMNA
SCHEMBL5448661 0.80 PKM (0.43) ALDH1A1KDM4ESIGMAR1HTR6
SCHEMBL5460440 0.79 HRH3 (0.42) ALDH1A1

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 2963/4885KDM4E 3327/4885POLB 4520/4885

“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.