SCHEMBL5451141

SCHEMBL5451141

O=C(c1cn(CCCN2CCCC(Cc3ccccc3Cl)C2)c2ncccc12)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.50
HTR3A P46098 5/20 0.40
CHRNB2 P17787 1/20 0.39
CHRNB4 P30926 1/20 0.39
CHRNA3 P32297 1/20 0.39
CHRNA4 P43681 1/20 0.39
CNR2 P34972 6/20 0.38
CNR1 P21554 5/20 0.38
CFD P00746 3/20 0.38
ALDH1A1 P00352 1/20 0.37
MAPK1 P28482 1/20 0.37
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
GSK3B P49841 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
SCHEMBL5450078 0.85 ATM (0.55) ATMHTR3ACNR2CNR1ALDH1A1
SCHEMBL5451449 0.80 ATM (0.43) ATMHTR3AALDH1A1MAPK1
SCHEMBL14463733 0.77 ATM (0.56) ATMHTR3ACNR2CNR1
SCHEMBL5443022 0.77 PRPS1 (0.45) CHRNB2CHRNB4CHRNA3CHRNA4CNR2
SCHEMBL14463719 0.76 ATM (0.43) ATMHTR3ACNR2CNR1
SCHEMBL5454610 0.76 ATM (0.52) ATMHTR3ACNR2CNR1
SCHEMBL5444219 0.76 ATM (0.52) ATMHTR3ACNR2CNR1ALDH1A1
SCHEMBL5448730 0.76 CNR1 (0.42) CHRNB2CHRNB4CHRNA3CHRNA4CNR2
SCHEMBL5445658 0.75 CNR1 (0.43) CHRNB2CHRNB4CHRNA3CHRNA4CNR2
SCHEMBL5457331 0.75 PRPS1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4CNR2

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 4514/4885HTR3A 373/4885CHRNB2 1071/4885

“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.