SCHEMBL22473185

SCHEMBL22473185

CCN1CCCC[C@@H]1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 1/20 0.53
▸ CHRNB4 P30926 1/20 0.53
▸ CHRNA3 P32297 1/20 0.53
▸ CHRNA7 P36544 1/20 0.53
▸ CHRNA4 P43681 1/20 0.53
▸ CFB P00751 2/20 0.49
▸ KMT2A Q03164 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.47
▸ MEN1 O00255 1/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ RIPK1 Q13546 2/20 0.46
▸ P2RX7 Q99572 1/20 0.45
▸ GAA P10253 1/20 0.44
▸ PRCP P42785 1/20 0.44

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
SCHEMBL12124887 1.00 CHRNB2 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL12128467 0.98 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL23032150 0.95 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL13407277 0.95 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL23423397 0.95 CHRNB2 (0.59) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL16474296 0.87 RIPK1 (0.53) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL4318786 0.86 CHRNB2 (0.54) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL18751632 0.85 CHRNB2 (0.56) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL7797276 0.83 CHRNB2 (0.51) CHRNB2CHRNB4CHRNA3CHRNA7CHRNA4
SCHEMBL8523197 0.83 CFB (0.36) CFB

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 CHRNB2 1972/4885CHRNB4 2227/4885CHRNA3 1856/4885
US-20210171516-A1 THERAPEUTIC COMPOUNDS AND METHODS OF USE THEREOF AVPR1B, C3AR1, RHEB CHRNB2 1972/4885CHRNB4 2227/4885CHRNA3 1856/4885

“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.

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