SCHEMBL168722

SCHEMBL168722

Cc1ccc(C2CCCN2)s1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 5/20 0.46
CHRM5 P08912 5/20 0.46
CHRM3 P20309 5/20 0.46
CHRM4 P08173 4/20 0.46
CHRM1 P11229 4/20 0.46
MKNK1 Q9BUB5 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TAAR1 Q96RJ0 1/20 0.39
CHRNB2 P17787 1/20 0.39
CHRNA7 P36544 1/20 0.39
CHRNA4 P43681 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38
HSD17B10 Q99714 1/20 0.37

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
SCHEMBL4283638 0.78 CHRM5 (0.40) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL15240168 0.78 CHRM5 (0.40) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL26998904 0.73 DAO (0.38) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL8117123 0.71 CHRM2 (0.40) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL8120519 0.71 CHRM2 (0.40) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL21962777 0.71 CA2 (0.39) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL6956559 0.71 HTR2C (0.46) CHRM2CHRM5CHRM3CHRM4CHRM1
SCHEMBL16661514 0.71
Hydrochloric Acid SCHEMBL8104746 0.70 CHRM2 (0.39) CHRM2CHRM5CHRM3CHRM4CHRM1
Hydrochloric Acid SCHEMBL9259177 0.70 CHRM2 (0.39) CHRM2CHRM5CHRM3CHRM4CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION THE USA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2023-09-28 US disclosed
EP-2611441-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F.HOFFMANN-LA ROCHE AG (CH) 2013-07-10 EP disclosed
WO-2012028563-A1 BACE INHIBITORS FOR USE IN THE TREATMENT OF DIABETES F. HOFFMANN-LA ROCHE AG (CH) 2012-03-08 WO disclosed
US-20120053200-A1 BACE 2 INHIBITORS HOFFMANN-LA ROCHE INC. 2012-03-01 US disclosed
US-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 US disclosed
WO-2009126635-A1 2-AMINO-BENZOTHIAZOLE DERIVATES USEFUL AS INHIBITORS OF ROCK KINASES ABBOTT LABORATORIES (US) 2009-10-15 WO 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 (3 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-20090258907-A1 COMPOUNDS USEFUL AS INHIBITORS OF ROCK KINASES ROCK1, ROCK2, RHOA CHRM2 302/4885CHRM5 864/4885CHRM3 583/4885
US-20230301984-A1 CYCLIC COMPOUNDS FOR USE IN TREATING RETINAL DEGENERATION ALDH1A2, PDE6D, PDE6C CHRM2 1636/4885CHRM5 2488/4885CHRM3 1008/4885
US-20120053200-A1 BACE 2 INHIBITORS BACE2, BACE1, PSEN2 CHRM2 3953/4885CHRM5 4565/4885CHRM3 4163/4885

“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.