SCHEMBL5446808

SCHEMBL5446808

O=C(c1cn(CCCN2CCN(CCOc3ccc(Cl)cc3)CC2)c2ncccc12)C(F)(F)F

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.51
ATM Q13315 1/20 0.48
KCNA5 P22460 7/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
ALDH1A1 P00352 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HRH3 Q9Y5N1 7/20 0.42
HRH1 P35367 1/20 0.42
DRD3 P35462 1/20 0.41

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
SCHEMBL5452543 0.92 ATM (0.52) IDO1ATMKCNA5ALDH1A1L3MBTL1
SCHEMBL5444278 0.91 IDO1 (0.45) IDO1ATMMEN1KMT2AHRH3
SCHEMBL14411395 0.89 ALDH1A1 (0.49) KCNA5MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL5444219 0.83 ATM (0.52) ATMALDH1A1L3MBTL1
SCHEMBL5451449 0.82 ATM (0.43) IDO1ATMALDH1A1HRH3
SCHEMBL5476485 0.81 HRH3 (0.46) ALDH1A1HRH3
SCHEMBL5461515 0.80 ATM (0.44) ATMHRH3HRH1
SCHEMBL5451416 0.80 ALDH1A1 (0.58) KCNA5ALDH1A1L3MBTL1HRH3DRD3
SCHEMBL5450078 0.79 ATM (0.55) ATMKMT2AALDH1A1
SCHEMBL5448739 0.79 ATM (0.52) IDO1ATMDRD3

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 IDO1 3073/4885ATM 4514/4885KCNA5 4447/4885

“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.