SCHEMBL15519446

SCHEMBL15519446

O=C(O)C=Cc1ccn(C2CCCCO2)n1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CD274 Q9NZQ7 1/20 0.41
▸ RXRA P19793 1/20 0.34
▸ RXRB P28702 1/20 0.34
▸ RXRG P48443 1/20 0.34
▸ CYP4F2 P78329 3/20 0.32
▸ CYP4A11 Q02928 3/20 0.32
▸ MGLL Q99685 1/20 0.32
▸ IDH1 O75874 1/20 0.32
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ KDM4E B2RXH2 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ ABL1 P00519 1/20 0.31
▸ RIPK1 Q13546 1/20 0.30
▸ ATR Q13535 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
SCHEMBL15519445 1.00 CD274 (0.41) CD274RXRARXRBRXRGCYP4F2
SCHEMBL20516929 0.85 CD274 (0.41) CD274RXRARXRBRXRGCYP4F2
SCHEMBL15603525 0.81 CD274 (0.40) CD274RXRARXRBRXRGCYP4F2
SCHEMBL28361826 0.79 CD274 (0.41) CD274RXRARXRBRXRGCYP4F2
SCHEMBL22816843 0.78 CD274 (0.35) CD274CYP4F2CYP4A11IDH1MEN1
SCHEMBL22236106 0.77 CD274 (0.44) CD274RXRARXRBRXRGCYP4F2
SCHEMBL20519313 0.74 NPC1 (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL20524397 0.74 NPC1 (0.43) RXRARXRBRXRGCYP4F2CYP4A11
SCHEMBL31338368 0.74 RXRA (0.45) CD274RXRARXRBRXRGCYP4F2
SCHEMBL20517556 0.74 CYP4F2 (0.46) RXRARXRBRXRGCYP4F2CYP4A11

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
EP-2708537-A1 HETEROAROMATIC RING DERIVATIVE Taisho Pharmaceutical Co., Ltd. (JP) 2014-03-19 — — EP disclosed
US-20090036357-A1 Azapeptide derivatives CONCERT PHARMACEUTICALS, INC. (US) 2009-02-05 — — US 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-20090036357-A1 Azapeptide derivatives SAMHD1, ENTPD5, DNPEP CD274 1373/4885RXRA 4734/4885RXRB 4775/4885
US-20140081025-A1 HETEROAROMATIC RING DERIVATIVE HCRTR2, HCRTR1, HTT CD274 611/4885RXRA 1208/4885RXRB 1620/4885

“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.

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