SCHEMBL6804298

SCHEMBL6804298

O=C(O)C(Cc1ccccc1)CC1(c2ccccn2)CCCCC1.[LiH]

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.45
▸ MME P08473 10/20 0.44
▸ CPA3 P15088 3/20 0.41
▸ CPA1 P15085 2/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ CPB1 P15086 1/20 0.41
▸ CPB2 Q96IY4 1/20 0.41
▸ ITGA4 P13612 1/20 0.41
▸ ITGB7 P26010 1/20 0.41
▸ SLC1A3 P43003 1/20 0.39
▸ SLC1A2 P43004 1/20 0.39
▸ SLC1A1 P43005 1/20 0.39
▸ OPRM1 P35372 1/20 0.38

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
SCHEMBL6203402 0.89 PPARG (0.46) MMEITGA4ITGB7
Lithium Ion SCHEMBL6804295 0.88 MME (0.39) CYP1A2MMEITGA4ITGB7OPRM1
SCHEMBL6203424 0.85 PPARG (0.41) MMEITGA4ITGB7
SCHEMBL6797773 0.79 SOAT2 (0.48) MME
SCHEMBL1813952 0.74 GAA (0.50) OPRM1
SCHEMBL6984579 0.73 HSD11B1 (0.40) MME
SCHEMBL6801610 0.73 SOAT2 (0.49) MME
SCHEMBL6253853 0.72 FPR2 (0.48) ITGA4ITGB7
SCHEMBL15863115 0.69 GRIN1 (0.47) OPRM1
SCHEMBL6249722 0.69 OPRM1 (0.56) OPRM1

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-20040063643-A1 Bombesin antagonists PFIZER INC. 2004-04-01 — — 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-20040063643-A1 Bombesin antagonists BRS3, NPSR1, GNRHR CYP1A2 952/4885MME 282/4885CPA3 153/4885

“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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