SCHEMBL15520488

SCHEMBL15520488

NCCc1ccn(-c2ccc(F)cn2)n1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 4/20 0.37
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
GRIA1 P42261 1/20 0.36
TAAR1 Q96RJ0 1/20 0.34
PDE10A Q9Y233 1/20 0.34
KDM5A P29375 3/20 0.33
KDM4C Q9H3R0 3/20 0.33
KDM5B Q9UGL1 3/20 0.33
KDM4A O75164 1/20 0.33
DHFR P00374 1/20 0.32
AR P10275 3/20 0.32
HRH1 P35367 1/20 0.32
MAOB P27338 1/20 0.31
GRM5 P41594 1/20 0.31
GRM3 Q14832 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
Hydrochloric Acid SCHEMBL15520216 0.98 HCAR2 (0.37) HCAR2HCRTR1HCRTR2GRIA1TAAR1
SCHEMBL15603543 0.85 KDM5A (0.40) HCAR2HCRTR1HCRTR2GRIA1PDE10A
SCHEMBL13933900 0.83 HCRTR1 (0.40) HCAR2HCRTR1HCRTR2GRIA1KDM5A
SCHEMBL18611527 0.81 GRIA1 (0.40) HCAR2HCRTR1HCRTR2GRIA1KDM5A
SCHEMBL13933901 0.81 GRIA1 (0.37) HCAR2HCRTR1HCRTR2GRIA1DHFR
SCHEMBL15519024 0.81 TAAR1 (0.39) HCAR2HCRTR1HCRTR2GRIA1TAAR1
Hydrochloric Acid SCHEMBL15518993 0.80 TAAR1 (0.38) HCAR2HCRTR1HCRTR2GRIA1TAAR1
SCHEMBL15519258 0.80 HCAR2 (0.49) HCAR2HCRTR1HCRTR2GRIA1KDM5A
SCHEMBL15519702 0.79 HCAR2 (0.36) HCAR2HCRTR1HCRTR2GRIA1PDE10A
SCHEMBL16648602 0.78 GRIA1 (0.41) HCAR2HCRTR1HCRTR2GRIA1DHFR

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-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 HCAR2 53/4885HCRTR1 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.