SCHEMBL4311458

SCHEMBL4311458

Cc1cc(CN(C)C(=O)Cc2c(-c3ccccc3Cl)[nH]c3ccc(F)cc23)on1

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FNTA P49354 2/20 0.44
FNTB P49356 2/20 0.44
CHRNB2 P17787 1/20 0.42
CHRNA4 P43681 1/20 0.42
MLNR O43193 1/20 0.41
CYP3A4 P08684 1/20 0.41
CSF1R P07333 1/20 0.38
ALDH1A1 P00352 2/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
GPBAR1 Q8TDU6 2/20 0.36
KIF11 P52732 1/20 0.36
GSTO1 P78417 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 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
SCHEMBL4309271 0.93 ALDH1A1 (0.40) FNTAFNTBCHRNB2CHRNA4MLNR
SCHEMBL4310553 0.91 ALDH1A1 (0.40) FNTAFNTBMLNRCYP3A4CSF1R
SCHEMBL4304062 0.91 FNTA (0.44) FNTAFNTBMLNRCYP3A4CSF1R
SCHEMBL4309257 0.90 FNTA (0.43) FNTAFNTBCYP3A4ALDH1A1KMT2A
SCHEMBL4307434 0.90 MLNR (0.39) FNTAFNTBMLNRCYP3A4CSF1R
SCHEMBL4308917 0.90 ALDH1A1 (0.39) FNTAFNTBMLNRCYP3A4CSF1R
SCHEMBL4315450 0.89 FNTA (0.46) FNTAFNTBCHRNB2CHRNA4CSF1R
SCHEMBL4307882 0.89 CHRNB2 (0.46) FNTAFNTBCHRNB2CHRNA4
SCHEMBL4308341 0.89 FNTA (0.46) FNTAFNTBMLNRCYP3A4CSF1R
SCHEMBL4305887 0.88 MLNR (0.38) FNTAFNTBMLNRCYP3A4CSF1R

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090088452-A1 Indole Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-04-02 US claimed
EP-1954276-A2 INDOLE OREXIN RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2008-08-13 EP claimed
WO-2007061763-A2 INDOLE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2007-05-31 WO claimed
US-20090088452-A1 Indole Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
US-20090088452-A1 Indole Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-04-02 US disclosed
US-20090088452-A1 Indole Orexin Receptor Antagonists MERCK SHARP & DOHME CORP. 2009-04-02 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-20090088452-A1 Indole Orexin Receptor Antagonists HCRTR2, HCRTR1, OXTR FNTA 4072/4885FNTB 4706/4885CHRNB2 250/4885

“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.