SCHEMBL22473301

SCHEMBL22473301

Cn1nccc1[C@@H]1CC(C(F)(F)F)CCN1

nearest known ligand 0.35

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MPO P05164 3/20 0.35
HCAR2 Q8TDS4 1/20 0.33
SCN9A Q15858 1/20 0.32

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
SCHEMBL20449204 1.00 MPO (0.35) MPOHCAR2SCN9A
SCHEMBL20449287 1.00 MPO (0.35) MPOHCAR2SCN9A
SCHEMBL20449288 1.00 MPO (0.35) MPOHCAR2SCN9A
SCHEMBL22473550 1.00 MPO (0.35) MPOHCAR2SCN9A
SCHEMBL22473331 0.78 CHRNA7 (0.32) HCAR2
SCHEMBL20528595 0.76 ELANE (0.34) MPO
SCHEMBL20449149 0.76 ELANE (0.34) MPO
SCHEMBL20449148 0.76 ELANE (0.34) MPO
SCHEMBL20187374 0.76 CREBBP (0.45)
SCHEMBL174625 0.76 CREBBP (0.45)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-06-10 US disclosed
US-10787446-B2 Therapeutic compounds and methods of use thereof GENENTECH, INC. (US) 2020-09-29 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-10787446-B2 Therapeutic compounds and methods of use thereof AVPR1B, C3AR1, RHEB MPO 658/4885HCAR2 545/4885SCN9A 256/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB MPO 658/4885HCAR2 545/4885SCN9A 256/4885

“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.