SCHEMBL24345695

SCHEMBL24345695

C[C@@H]1COc2c1cc([C@@](O)(CNC(=O)c1cc(OC3CC3)c3ncccc3c1)C1CC1)nc2-c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.35
HRH1 P35367 16/20 0.33
KCNH2 Q12809 16/20 0.33
POLB P06746 1/20 0.33
CYP3A4 P08684 2/20 0.31
CYP2D6 P10635 2/20 0.31
CHRM1 P11229 2/20 0.31
CYP2C9 P11712 2/20 0.31
HTR2C P28335 2/20 0.31
HTR2B P41595 2/20 0.31

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
SCHEMBL24363729 0.93 POLB (0.38) POLBHTR2CHTR2B
SCHEMBL24987227 0.92 AR (0.36) ARHRH1KCNH2POLBCYP3A4
SCHEMBL23717502 0.92 AR (0.35) ARHRH1KCNH2POLB
SCHEMBL24363615 0.86 MEN1 (0.37)
SCHEMBL23717045 0.85 POLB (0.37) POLBHTR2CHTR2B
SCHEMBL24363658 0.84 POLB (0.39) POLBHTR2CHTR2B
SCHEMBL23905701 0.84 AR (0.35) ARHRH1KCNH2POLBCYP3A4
SCHEMBL23683773 0.84 AR (0.35) ARHRH1KCNH2POLBCYP3A4
SCHEMBL24987499 0.84 AR (0.33) ARPOLB
SCHEMBL24345438 0.83 POLB (0.38) POLBHTR2CHTR2B

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-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS ENANTA PHARMACEUTICALS, INC. 2022-04-21 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-20220119398-A1 HETEROCYCLIC COMPOUNDS AS ANTI-VIRAL AGENTS VIP, ACE, FURIN AR 4623/4885HRH1 21/4885KCNH2 3815/4885

“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.