SCHEMBL19483384

SCHEMBL19483384

Cn1cncc1C[C@H](CC(C)(C)C)C(=O)C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 2/20 0.34
▸ CHRM5 P08912 3/20 0.33
▸ CHRM4 P08173 2/20 0.32
▸ CHRM1 P11229 2/20 0.32
▸ CYP2C9 P11712 2/20 0.32
▸ CHRM3 P20309 2/20 0.32
▸ LMNA P02545 2/20 0.32
▸ CHRM2 P08172 1/20 0.32
▸ CYP2A6 P11509 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ HTR2A P28223 1/20 0.32
▸ CYP2A13 Q16696 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ TP53 P04637 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP3A4 P08684 1/20 0.32
▸ ALOX15 P16050 1/20 0.32
▸ ALOX12 P18054 1/20 0.32
▸ NFKB1 P19838 1/20 0.32

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
SCHEMBL19483351 1.00 MAPT (0.34) MAPTCHRM5CHRM4CHRM1CYP2C9
SCHEMBL19483454 0.78 CAPN1 (0.36) MAPTCHRM5CHRM4CHRM1CYP2C9
SCHEMBL25243731 0.71 CHRM5 (0.38) MAPTCHRM5CHRM4CHRM1CYP2C9
SCHEMBL19072050 0.71 CHRM5 (0.38) MAPTCHRM5CHRM4CHRM1CYP2C9
SCHEMBL19483388 0.71 CPB2 (0.40) CYP2C9CYP2C19
SCHEMBL19483353 0.71 CPB2 (0.40) CYP2C9CYP2C19
SCHEMBL847045 0.70 TBXAS1 (0.40) CHRM5CHRM4CHRM1CYP2C9CHRM3
SCHEMBL13301863 0.69 SLC1A3 (0.37) MAPTCHRM5CHRM4CHRM1CYP2C9
SCHEMBL19483358 0.69 CYP3A4 (0.42) MAPTCHRM1CYP2C9CYP1A2CYP3A4
SCHEMBL28559 0.69 SLC1A3 (0.51) CYP3A4

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-20170298097-A1 Peptide Derivatives and Uses Thereof NOSOPHARM (FR) 2017-10-19 — — 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-20170298097-A1 Peptide Derivatives and Uses Thereof VIP, IAPP, NGLY1 MAPT 2051/4885CHRM5 4652/4885CHRM4 4485/4885

“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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