SCHEMBL5450078

SCHEMBL5450078

O=C(c1cn(CCCN2CCCN(Cc3ccccc3Cl)CC2)c2ncccc12)C(F)(F)F

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.55
APP P05067 2/20 0.42
PKM P14618 1/20 0.41
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 2/20 0.40
ALDH1A1 P00352 2/20 0.40
CNR2 P34972 5/20 0.40
CNR1 P21554 4/20 0.40
HTR3A P46098 2/20 0.38
PTGDR2 Q9Y5Y4 1/20 0.38
PRKCG P05129 1/20 0.38
PRKCB P05771 1/20 0.38
PRKCA P17252 1/20 0.38
GSK3B P49841 1/20 0.38
HTR2A P28223 1/20 0.38
HTR6 P50406 1/20 0.37
LMNA P02545 1/20 0.37
MAPT P10636 1/20 0.37
MPI P34949 1/20 0.37
HTT P42858 1/20 0.37

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
SCHEMBL14463733 0.90 ATM (0.56) ATMCNR2CNR1HTR3AHTR6
SCHEMBL5457439 0.89 CNR1 (0.43) ATMAPPPKMKMT2AKDM4E
SCHEMBL5444219 0.89 ATM (0.52) ATMKDM4EALDH1A1CNR2CNR1
SCHEMBL5448739 0.86 ATM (0.52) ATMAPPKDM4ECNR2CNR1
SCHEMBL5451141 0.85 ATM (0.50) ATMALDH1A1CNR2CNR1HTR3A
SCHEMBL5454610 0.84 ATM (0.52) ATMKDM4ECNR2CNR1HTR3A
SCHEMBL14463818 0.79 CNR2 (0.44) ATMCNR2CNR1HTR3AHTR6
SCHEMBL5452543 0.79 ATM (0.52) ATMKDM4EALDH1A1CNR2CNR1
SCHEMBL5446808 0.79 IDO1 (0.51) ATMKMT2AALDH1A1
SCHEMBL5453680 0.79 HTR3E (0.44) KDM4EALDH1A1CNR2CNR1HTR3A

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 ATM 4514/4885APP 3672/4885PKM 4015/4885

“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.