SCHEMBL15519555

SCHEMBL15519555

CCc1cn(-c2ccc(F)cn2)nc1C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
KDM5A P29375 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
KDM5B Q9UGL1 1/20 0.35
EGLN1 Q9GZT9 9/20 0.35
DHFR P00374 1/20 0.34
GRN P28799 1/20 0.34
SORT1 Q99523 1/20 0.34
GRIN2B Q13224 2/20 0.34
GRIA1 P42261 1/20 0.34

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
SCHEMBL2186234 0.73 EGLN1 (0.44) KMT2ALMNANPC1RAB9ACNR1
SCHEMBL15519831 0.70 KMT2A (0.40) KMT2ALMNACNR1CNR2EGLN1
SCHEMBL415320 0.69 ALDH1A1 (0.51) KMT2ALMNARAB9A
SCHEMBL16835123 0.69 NOTUM (0.42) LMNANPC1RAB9AEGLN1
SCHEMBL18611527 0.68 GRIA1 (0.40) CNR1CNR2PARP1PARP2KDM5A
SCHEMBL19120266 0.67 TRPV4 (0.35) CNR1CNR2DHFRGRIN2BGRIA1
SCHEMBL415272 0.67 TRPV4 (0.37) KMT2ALMNACNR1CNR2EGLN1
SCHEMBL6034668 0.67 CYP11B1 (0.34) RAB9ACNR1CNR2GRIA1
SCHEMBL25227025 0.67 MYC (0.36) KMT2ALMNACNR1CNR2
SCHEMBL30174170 0.67 MYC (0.36) KMT2ALMNACNR1CNR2

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 6 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
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
EP-2862860-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2015-04-22 EP 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 (2 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 KMT2A 419/4885LMNA 4559/4885NPC1 610/4885
US-20150183768-A1 HETEROAROMATIC METHYL CYCLIC AMINE DERIVATIVE HCRTR2, HCRTR1, HTR2B KMT2A 151/4885LMNA 4564/4885NPC1 1120/4885

“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.