SCHEMBL22473389

SCHEMBL22473389

CCN1CC[C@@H](F)C[C@@H]1c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 5/20 0.43
P2RX7 Q99572 1/20 0.43
CHRNB2 P17787 1/20 0.42
CHRNB4 P30926 1/20 0.42
CHRNA3 P32297 1/20 0.42
CHRNA7 P36544 1/20 0.42
CHRNA4 P43681 1/20 0.42
PRCP P42785 1/20 0.42
CFB P00751 5/20 0.42
DRD2 P14416 1/20 0.39
SLC18A3 Q16572 1/20 0.38

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
SCHEMBL23491401 0.86 RIPK1 (0.40) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL16474296 0.84 RIPK1 (0.53) RIPK1P2RX7CHRNB2CHRNB4CHRNA3
SCHEMBL23491511 0.83 RIPK1 (0.43) RIPK1P2RX7CHRNB2CHRNB4CHRNA3
SCHEMBL24493568 0.83 RIPK1 (0.43) RIPK1P2RX7CHRNB2CHRNB4CHRNA3
SCHEMBL23491978 0.81 RIPK1 (0.41) RIPK1P2RX7CHRNB2CHRNB4CHRNA3
SCHEMBL7833286 0.78 CFB (0.39) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13407277 0.77 CHRNB2 (0.59) RIPK1P2RX7CHRNB2CHRNB4CHRNA3
SCHEMBL6096780 0.77 CHRNB2 (0.59) RIPK1CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL23423397 0.77 CHRNB2 (0.59) RIPK1P2RX7CHRNB2CHRNB4CHRNA3
SCHEMBL23032150 0.77 CHRNB2 (0.59) RIPK1P2RX7CHRNB2CHRNB4CHRNA3

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 RIPK1 3202/4885P2RX7 433/4885CHRNB2 1972/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB RIPK1 3202/4885P2RX7 433/4885CHRNB2 1972/4885

“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.