SCHEMBL6904039

SCHEMBL6904039

COC(=O)c1c(OC)ncc(-n2nnnc2C(F)(F)F)c1OC

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
TACR1 P25103 4/20 0.31
NOTUM Q6P988 1/20 0.30
AURKA O14965 1/20 0.30
KDR P35968 1/20 0.30
AURKB Q96GD4 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
SCHEMBL6902335 0.81 TACR1 (0.38) ALDH1A1HPGDHTTTACR1NOTUM
SCHEMBL6920360 0.81 TACR1 (0.36) TACR1
SCHEMBL6899145 0.80 GABRP (0.37) ALDH1A1HPGDHTTTACR1NOTUM
SCHEMBL6906733 0.79 MEN1 (0.30) TACR1
SCHEMBL8326702 0.76 TACR1 (0.38) ALDH1A1HPGDHTTTACR1
SCHEMBL8658515 0.74 MYC (0.40) ALDH1A1TACR1
SCHEMBL6906060 0.73 ALDH1A1 (0.39) ALDH1A1TACR1
SCHEMBL6918745 0.69 HSD17B10 (0.35) TACR1
SCHEMBL1973007 0.68 ALDH1A1 (0.61) ALDH1A1HPGDHTTTACR1
SCHEMBL6900107 0.67 CYP1A2 (0.37) HTTAURKAKDRAURKB

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-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-04 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-20040220403-A1 1-(2-Methoxybenzyl)-3-benzhydrylpiperazines as tachykinin anatgonists BDKRB1, BDKRB2, TACR1 ALDH1A1 1825/4885HPGD 1665/4885HTT 456/4885

“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.