SCHEMBL5531644

SCHEMBL5531644

CN(C(=O)Nc1cccc(C(F)(F)F)c1F)C1CCCCC1

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 4/20 0.62
▸ ABCC1 P33527 3/20 0.58
▸ RAB9A P51151 3/20 0.58
▸ POLB P06746 2/20 0.58
▸ ATM Q13315 1/20 0.54
▸ NPC1 O15118 1/20 0.49
▸ TAS1R3 Q7RTX0 1/20 0.48
▸ TAS1R1 Q7RTX1 1/20 0.48
▸ TAS1R2 Q8TE23 1/20 0.48
▸ UBE2M P61081 1/20 0.48
▸ DCUN1D1 Q96GG9 1/20 0.48
▸ KMT2A Q03164 2/20 0.45
▸ CA12 O43570 1/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CA9 Q16790 1/20 0.43
▸ MEN1 O00255 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40

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
SCHEMBL5537284 0.77 ABCC1 (0.60) EPHX2ABCC1RAB9APOLBATM
SCHEMBL5534327 0.75 RAB9A (0.65) ABCC1RAB9APOLBATMNPC1
SCHEMBL5533932 0.75 RAB9A (0.65) ABCC1RAB9APOLBATMNPC1
SCHEMBL27264919 0.74 HTT (0.64) ABCC1RAB9APOLBATMNPC1
SCHEMBL12144664 0.73 EPHX2 (0.57) EPHX2POLBTAS1R3TAS1R1TAS1R2
SCHEMBL1847415 0.73 EPHX2 (0.58) EPHX2POLBKMT2ACA12CA1
SCHEMBL5526949 0.73 ABCC1 (0.63) ABCC1POLBNPC1KMT2AMEN1
SCHEMBL12780371 0.73 EPHX2 (0.58) EPHX2POLBKMT2ACA12CA1
SCHEMBL26605784 0.72 ATM (0.64) ABCC1RAB9APOLBATMNPC1
SCHEMBL11599130 0.71 ATM (1.00) EPHX2ABCC1RAB9APOLBATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof ARENA PHARMACEUTICALS, INC. 2007-01-11 — — 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-20070010671-A1 Novel quinazoline derivatives and methods of treatment related to the use thereof MCHR1, GPR119, MCHR2 EPHX2 3017/4885ABCC1 2977/4885RAB9A 902/4885

“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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