SCHEMBL20101138

SCHEMBL20101138

CC(C)N1CCN(C(C)C(F)(F)F)CC1

nearest known ligand 0.38

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.38
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
PKM P14618 1/20 0.33
CYP2D6 P10635 1/20 0.33
KCNH2 Q12809 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
EPHX2 P34913 1/20 0.30

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
SCHEMBL20030787 0.82 MC4R (0.38) CYP2D6KCNH2
SCHEMBL16253366 0.81
SCHEMBL12469316 0.79 FDPS (0.31)
SCHEMBL19504453 0.78
SCHEMBL681912 0.76 CHRNA7 (0.46) CHRNA7KDM4EALDH1A1MAPTPKM
SCHEMBL13290572 0.76 CHRNA7 (0.46) CHRNA7KDM4EALDH1A1MAPTPKM
SCHEMBL13290580 0.76 CHRNA7 (0.46) CHRNA7KDM4EALDH1A1MAPTPKM
SCHEMBL6660188 0.76 CHRNA7 (0.46) CHRNA7KDM4EALDH1A1MAPTPKM
SCHEMBL13290568 0.76 CHRNA7 (0.46) CHRNA7KDM4EALDH1A1MAPTPKM
SCHEMBL1106901 0.76

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10800772-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2020-10-13 US disclosed
US-20180118734-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2018-05-03 US disclosed
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 (2 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-10800772-B2 Therapeutic compounds NQO1, HAVCR2, CCR5 CHRNA7 4306/4885KDM4E 4115/4885ALDH1A1 321/4885
US-20180118734-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 CHRNA7 4306/4885KDM4E 4115/4885ALDH1A1 321/4885

“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.