SCHEMBL15518902

SCHEMBL15518902

CC/C(=C\c1ccn(-c2ccc(F)cn2)n1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
GRIA1 P42261 1/20 0.35
TBXAS1 P24557 2/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
GRM1 Q13255 2/20 0.31
SLC27A1 Q6PCB7 3/20 0.31
HCAR2 Q8TDS4 2/20 0.31
PPARG P37231 2/20 0.31
HDAC1 Q13547 1/20 0.30
LMNA P02545 1/20 0.30
KMT2A Q03164 1/20 0.30
NPC1 O15118 1/20 0.30
ALDH1A1 P00352 1/20 0.30
RAB9A P51151 1/20 0.30
RXFP1 Q9HBX9 1/20 0.30
KDM5A P29375 1/20 0.30
KDM4C Q9H3R0 1/20 0.30
KDM5B Q9UGL1 1/20 0.30

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
SCHEMBL15518904 1.00 HCRTR1 (0.35) HCRTR1HCRTR2GRIA1TBXAS1CNR1
SCHEMBL1969309 0.79 KDM4E (0.41) TBXAS1PPARGHDAC1LMNAKMT2A
SCHEMBL15603542 0.75 GRIA1 (0.38) HCRTR1HCRTR2GRIA1CNR1CNR2
SCHEMBL15520187 0.75 GRIA1 (0.40) HCRTR1HCRTR2GRIA1CNR1CNR2
SCHEMBL16648879 0.75 GRIA1 (0.36) HCRTR1HCRTR2GRIA1LMNAKMT2A
SCHEMBL16648883 0.75 GRIA1 (0.36) HCRTR1HCRTR2GRIA1LMNAKMT2A
SCHEMBL16648881 0.75 GRIA1 (0.36) HCRTR1HCRTR2GRIA1LMNAKMT2A
SCHEMBL15518903 0.74 NPC1 (0.41) HCRTR1HCRTR2GRIA1LMNANPC1
SCHEMBL15519831 0.71 KMT2A (0.40) HCRTR1HCRTR2GRIA1CNR1CNR2
SCHEMBL15519476 0.70 AR (0.41) HCRTR1HCRTR2GRIA1HCAR2LMNA

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 2 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
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 1/4885GRIA1 59/4885

“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.