SCHEMBL6401619

SCHEMBL6401619

COc1ccc(CCCC(=O)Nc2ccc(-c3c(N)nc(N)nc3COCc3ccccc3)cc2)cc1OC

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ GHSR Q92847 19/20 0.71
▸ DHFR P00374 1/20 0.58
▸ NPC1 O15118 1/20 0.54
▸ RAB9A P51151 1/20 0.54

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
SCHEMBL6280112 0.89 GHSR (0.77) GHSRDHFR
SCHEMBL6402783 0.89 GHSR (0.89) GHSRDHFR
SCHEMBL6401275 0.83 GHSR (1.00) GHSRDHFR
SCHEMBL3635715 0.81 GHSR (1.00) GHSRDHFR
SCHEMBL6274083 0.80 GHSR (0.84) GHSRDHFR
SCHEMBL6257386 0.80 GHSR (1.00) GHSRDHFR
SCHEMBL6248158 0.79 GHSR (0.80) GHSRDHFR
SCHEMBL6245095 0.78 GHSR (0.80) GHSRDHFR
SCHEMBL6260357 0.78 GHSR (1.00) GHSRDHFR
SCHEMBL6247503 0.78 GHSR (1.00) GHSRDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 — — US claimed
US-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists XIN ZHILI (US) 2005-08-04 — — 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-20050171132-A1 Diaminopyrimidine derivatives as selective growth hormone secrectgogue receptor (GHS-R) antagonists GHSR, GIPR, GPR119 GHSR 1/4885DHFR 628/4885NPC1 4320/4885

“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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