SCHEMBL25588698

SCHEMBL25588698

CC(CN(C)C)C(C)(C)C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.38
CYP2D6 P10635 2/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
SLC6A4 P31645 1/20 0.36
KCNH2 Q12809 1/20 0.36
CYP3A4 P08684 1/20 0.34

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
SCHEMBL25102304 0.81 ALDH1A1 (0.36) ALDH1A1CYP2D6CYP2C19HSD17B10LMNA
SCHEMBL6755726 0.77 ALDH1A1 (0.40) ALDH1A1CYP2D6CYP2C19HSD17B10LMNA
SCHEMBL172743 0.77 ALDH1A1 (0.40) ALDH1A1CYP2D6CYP2C19HSD17B10LMNA
SCHEMBL19841251 0.77 ALDH1A1 (0.40) ALDH1A1CYP2D6CYP2C19HSD17B10LMNA
SCHEMBL19882464 0.72 CYP2D6 (0.38) ALDH1A1CYP2D6CYP2C19HSD17B10LMNA
SCHEMBL22843 0.70 ALDH1A1 (0.36) ALDH1A1CYP2D6CYP2C19HSD17B10LMNA
SCHEMBL2455143 0.70 ALDH1A1 (0.36) ALDH1A1CYP2D6CYP2C19HSD17B10LMNA
SCHEMBL23340999 0.70 SLC6A2 (0.33) SLC6A4
SCHEMBL24952291 0.70 ALDH1A1 (0.36) ALDH1A1CYP2D6CYP2C19HSD17B10LMNA
SCHEMBL3748741 0.67 TSHR (0.32)

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-11667613-B2 Antiviral pyrazolopyridinone compounds NOVARTIS AG (CH) 2023-06-06 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-11667613-B2 Antiviral pyrazolopyridinone compounds ZC3HAV1, TYMP, ZC3HAV1L ALDH1A1 1776/4885CYP2D6 491/4885CYP2C19 91/4885

“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.