SCHEMBL17700255

SCHEMBL17700255

COC(CNc1ccccn1)C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP2D6 P10635 1/20 0.48
▸ FDPS P14324 1/20 0.47
▸ CXCR4 P61073 1/20 0.44
▸ PCSK9 Q8NBP7 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ FABP1 P07148 1/20 0.42
▸ FABP6 P51161 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ NPC1 O15118 3/20 0.39
▸ RAB9A P51151 3/20 0.39
▸ GAA P10253 1/20 0.39
▸ TP53 P04637 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL6546284 0.79 CYP2D6 (0.54) CYP2D6FDPSCXCR4PCSK9CYP2C19
SCHEMBL10830140 0.78 CYP2D6 (0.53) CYP2D6FDPSCXCR4PCSK9CYP2C19
SCHEMBL7448193 0.73 CYP2D6 (0.59) CYP2D6FDPSCXCR4PCSK9CYP2C19
SCHEMBL6955101 0.73 CYP2D6 (0.59) CYP2D6FDPSCXCR4PCSK9CYP2C19
SCHEMBL4281005 0.72 CYP2D6 (0.72) CYP2D6FDPSCXCR4PCSK9CYP2C19
SCHEMBL7471422 0.71 CYP2D6 (0.61) CYP2D6FDPSCXCR4PCSK9CYP2C19
SCHEMBL7471428 0.71 CYP2D6 (0.61) CYP2D6FDPSCXCR4PCSK9CYP2C19
SCHEMBL6800071 0.70 CYP2D6 (0.65) CYP2D6FDPSCXCR4PCSK9CYP2C19
SCHEMBL17700372 0.70 CXCR4 (0.52) CYP2D6FDPSCXCR4CYP2C19FABP1
SCHEMBL1831588 0.70 CYP2D6 (0.56) CYP2D6FDPSCXCR4PCSK9CYP2C19

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
EP-3031799-B1 AROMATIC COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2018-04-04 — — EP disclosed
US-9776962-B2 Aromatic compounds with GPR40 agonistic activity TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-03 — — US disclosed
EP-3031799-A1 AROMATIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2016-06-15 — — EP disclosed
US-20160115128-A1 AROMATIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-04-28 — — 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 (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-20160115128-A1 AROMATIC COMPOUND GLP1R, GPR119, GPR39 CYP2D6 4416/4885FDPS 3138/4885CXCR4 1021/4885

“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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