SCHEMBL15519701

SCHEMBL15519701

CCN(CCc1noc(-c2ccc(F)c(F)c2)n1)C(=O)c1cc(F)ccc1-c1ncccn1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.61
HCRTR2 O43614 17/20 0.61
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
CHRNB2 P17787 1/20 0.37
CHRNA5 P30532 1/20 0.37
CHRNA4 P43681 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL15519557 0.93 HCRTR1 (0.69) HCRTR1HCRTR2ALDH1A1
SCHEMBL15519767 0.87 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL15518985 0.85 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL15522028 0.80 HCRTR2 (0.72) HCRTR1HCRTR2
SCHEMBL15519543 0.79 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL15519525 0.79 ALDH1A1 (0.45) HCRTR1HCRTR2CHRNB2CHRNA5CHRNA4
SCHEMBL15520600 0.76 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL15327026 0.76 HCRTR1 (0.50) HCRTR1HCRTR2ALOX5APFEN1
SCHEMBL16648754 0.76 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL13833216 0.74 ALDH1A1 (0.39) HCRTR1HCRTR2CHRNB2CHRNA5CHRNA4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 US disclosed
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 US disclosed
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2014-03-20 US disclosed
EP-2708537-A1 HETEROAROMATIC RING DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-03-19 EP 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-20140081025-A1 HETEROAROMATIC RING DERIVATIVE HCRTR2, HCRTR1, HTT HCRTR1 2/4885HCRTR2 1/4885ALOX5AP 2213/4885

“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.