SCHEMBL15519702

SCHEMBL15519702

CCNCCc1ccn(-c2ccc(F)cn2)n1

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 6/20 0.36
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GRIA1 P42261 1/20 0.35
KDM5A P29375 2/20 0.35
KDM4C Q9H3R0 2/20 0.35
KDM5B Q9UGL1 2/20 0.35
MCHR1 Q99705 3/20 0.34
MPO P05164 1/20 0.33
DHFR P00374 1/20 0.32
KCNH2 Q12809 1/20 0.31
AR P10275 1/20 0.31
CYP2C8 P10632 1/20 0.31
CYP2C9 P11712 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PDE10A Q9Y233 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 SCHEMBL15519556 0.99 HCAR2 (0.36) HCAR2HCRTR1HCRTR2GRIA1KDM5A
SCHEMBL15603543 0.88 KDM5A (0.40) HCAR2HCRTR1HCRTR2GRIA1KDM5A
SCHEMBL15519024 0.86 TAAR1 (0.39) HCAR2HCRTR1HCRTR2GRIA1KDM5A
Hydrochloric Acid SCHEMBL15518993 0.85 TAAR1 (0.38) HCAR2HCRTR1HCRTR2GRIA1KDM5A
SCHEMBL18611527 0.82 GRIA1 (0.40) HCAR2HCRTR1HCRTR2GRIA1KDM5A
SCHEMBL15520488 0.79 HCAR2 (0.37) HCAR2HCRTR1HCRTR2GRIA1KDM5A
Hydrochloric Acid SCHEMBL15520216 0.78 HCAR2 (0.37) HCAR2HCRTR1HCRTR2GRIA1KDM5A
SCHEMBL13933900 0.77 HCRTR1 (0.40) HCAR2HCRTR1HCRTR2GRIA1KDM5A
SCHEMBL15519020 0.77 KDM5A (0.39) HCAR2HCRTR1HCRTR2KDM5AKDM4C
SCHEMBL15519920 0.76 TYK2 (0.44) HCAR2HCRTR1HCRTR2ARCNR1

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 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.