SCHEMBL16649082

SCHEMBL16649082

O=CCc1ccn(-c2ccc(F)cn2)n1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIA1 P42261 1/20 0.38
HCRTR1 O43613 1/20 0.38
HCRTR2 O43614 1/20 0.38
HCAR2 Q8TDS4 6/20 0.34
AR P10275 4/20 0.33
KCNJ1 P48048 1/20 0.33
SLC27A1 Q6PCB7 1/20 0.33
GRM5 P41594 2/20 0.32
GRM3 Q14832 1/20 0.32
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
GRM1 Q13255 1/20 0.31

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
SCHEMBL15520159 0.82 HCRTR1 (0.38) GRIA1HCRTR1HCRTR2HCAR2SLC27A1
SCHEMBL13933900 0.81 HCRTR1 (0.40) GRIA1HCRTR1HCRTR2HCAR2AR
SCHEMBL18611527 0.80 GRIA1 (0.40) GRIA1HCRTR1HCRTR2HCAR2AR
SCHEMBL13933901 0.80 GRIA1 (0.37) GRIA1HCRTR1HCRTR2HCAR2AR
SCHEMBL15519476 0.78 AR (0.41) GRIA1HCRTR1HCRTR2HCAR2AR
SCHEMBL15520488 0.78 HCAR2 (0.37) GRIA1HCRTR1HCRTR2HCAR2AR
SCHEMBL15603543 0.78 KDM5A (0.40) GRIA1HCRTR1HCRTR2HCAR2AR
SCHEMBL15520187 0.77 GRIA1 (0.40) GRIA1HCRTR1HCRTR2KCNJ1SLC27A1
Hydrochloric Acid SCHEMBL15520216 0.77 HCAR2 (0.37) GRIA1HCRTR1HCRTR2HCAR2AR
SCHEMBL15519258 0.76 HCAR2 (0.49) GRIA1HCRTR1HCRTR2HCAR2AR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2862860-B1 1,3-OXAZOLIDINE OR 1,3-OXAZINANE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO LTD (JP) 2016-12-21 EP disclosed
EP-2862860-B1 1,3-OXAZOLIDINE OR 1,3-OXAZINANE COMPOUNDS AS OREXIN RECEPTOR ANTAGONISTS TAISHO PHARMACEUTICAL CO LTD (JP) 2016-12-21 EP disclosed
US-9266870-B2 Heteroaromatic methyl cyclic amine derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-02-23 US disclosed
US-9266870-B2 Heteroaromatic methyl cyclic amine derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-02-23 US disclosed
US-9266870-B2 Heteroaromatic methyl cyclic amine derivative TAISHO PHARMACEUTICAL CO., LTD (JP) 2016-02-23 US disclosed
US-20150183768-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-07-02 US disclosed
US-20150183768-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-07-02 US disclosed
US-20150183768-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2015-07-02 US disclosed
EP-2862860-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2015-04-22 EP disclosed
EP-2862860-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2015-04-22 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-20150183768-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE HCRTR2, HCRTR1, HTR2B GRIA1 36/4885HCRTR1 2/4885HCRTR2 1/4885

“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.