SCHEMBL15518903

SCHEMBL15518903

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

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
XPO1 O14980 2/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
IDO1 P14902 1/20 0.38
TDO2 P48775 1/20 0.38
EGFR P00533 1/20 0.37
ERBB2 P04626 1/20 0.37
TTR P02766 1/20 0.36
DPP4 P27487 1/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 2/20 0.36
CYP2C9 P11712 1/20 0.36
POLB P06746 2/20 0.35
FDPS P14324 1/20 0.35

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
SCHEMBL15603542 0.83 GRIA1 (0.38) LMNAHCRTR1HCRTR2GRIA1
SCHEMBL1969307 0.81 CA12 (0.49) NPC1RAB9AXPO1CA12CA1
SCHEMBL30693169 0.81 CA12 (0.49) NPC1RAB9AXPO1CA12CA1
SCHEMBL13933902 0.77 JMJD6 (0.44) NPC1RAB9ALMNAPOLBGRIA1
SCHEMBL15518902 0.74 HCRTR1 (0.35) NPC1RAB9ALMNAHCRTR1HCRTR2
SCHEMBL15518904 0.74 HCRTR1 (0.35) NPC1RAB9ALMNAHCRTR1HCRTR2
SCHEMBL14148933 0.73 CA12 (0.49) NPC1RAB9ACA12CA1CA2
SCHEMBL15520187 0.73 GRIA1 (0.40) POLBHCRTR1HCRTR2GRIA1
SCHEMBL19121139 0.71 MAPT (0.50) NPC1RAB9ATDO2HCRTR1HCRTR2
SCHEMBL16648879 0.68 GRIA1 (0.36) EGFRCYP3A4LMNACYP2C9HCRTR1

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 NPC1 610/4885RAB9A 1031/4885XPO1 3839/4885

“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.