SCHEMBL21180241

SCHEMBL21180241

CC(C)c1nc(C(C)C)n2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 18/20 0.43
CYP3A4 P08684 5/20 0.43
CYP2D6 P10635 4/20 0.43
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
MEN1 O00255 1/20 0.40
PDE5A O76074 1/20 0.40
MIF P14174 1/20 0.40
TSHR P16473 1/20 0.40
PDE4A P27815 1/20 0.40
ADORA2A P29274 1/20 0.40
ADORA1 P30542 1/20 0.40
BLM P54132 1/20 0.40
KMT2A Q03164 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
PDE3B Q13370 1/20 0.40

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
SCHEMBL19699834 0.81 PTPN1 (0.53) HTR4CYP3A4CYP2D6
SCHEMBL18878436 0.81 HTR4 (0.44) HTR4CYP3A4CYP2D6ALDH1A1CYP1A2
SCHEMBL22276461 0.80 HTR4 (0.39) HTR4CYP3A4CYP2D6
SCHEMBL28700587 0.80 HTR4 (0.42) HTR4CYP3A4CYP2D6
SCHEMBL20927196 0.77 HTR4 (0.44) HTR4CYP3A4CYP2D6ALDH1A1MEN1
SCHEMBL21180242 0.77 HTR4 (0.42) HTR4CYP3A4CYP2D6ALDH1A1CYP1A2
SCHEMBL19912164 0.75 ALDH1A1 (0.41) HTR4CYP3A4CYP2D6ALDH1A1TSHR
SCHEMBL23937824 0.75 HTR4 (0.50) HTR4CYP3A4CYP2D6
SCHEMBL23937818 0.75 HTR4 (0.42) HTR4CYP3A4CYP2D6ALDH1A1CYP1A2
SCHEMBL23937736 0.75 HTR4 (0.42) HTR4CYP3A4CYP2D6

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-10358453-B2 Antiviral compounds ALIOS BIOPHARMA, INC. (US) 2019-07-23 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-10358453-B2 Antiviral compounds MAVS, SARS1, ZC3HAV1 HTR4 2989/4885CYP3A4 3687/4885CYP2D6 4553/4885

“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.