SCHEMBL20101149

SCHEMBL20101149

CN1CC(C(=O)c2cc(Br)ccc2F)C1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.43
ALDH1A1 P00352 7/20 0.40
DGAT1 O75907 1/20 0.39
KMT2A Q03164 5/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 2/20 0.37
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL18547998 0.85 HTR1F (0.58) HTR1FKMT2ASMN1; SMN2
SCHEMBL20030849 0.84 USP30 (0.38) HTR1FALDH1A1DGAT1KMT2AMEN1
SCHEMBL1173693 0.82 DGAT1 (0.44) HTR1FALDH1A1DGAT1KMT2AMEN1
SCHEMBL873620 0.80 ALDH1A1 (0.42) HTR1FALDH1A1DGAT1KMT2AMEN1
SCHEMBL20030977 0.79 USP30 (0.57) ALDH1A1KMT2AMEN1
SCHEMBL24147773 0.78 DGAT1 (0.41) HTR1FALDH1A1DGAT1KMT2AMEN1
SCHEMBL18547956 0.77 HTR3E (0.44) HTR1FDGAT1KMT2AMEN1LMNA
SCHEMBL18554588 0.75 HSD11B1 (0.48) HTR1FALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL4190126 0.74 MGLL (0.51) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL17495365 0.72 USP30 (0.50) KMT2AHPGD

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-20180118734-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-03 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-20180118734-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 HTR1F 3274/4885ALDH1A1 321/4885DGAT1 1691/4885

“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.