SCHEMBL3779323

SCHEMBL3779323

Cc1ccccc1C(=O)CC1CC2CCC(C1)N2C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 11/20 0.49
CHRM1 P11229 10/20 0.49
CHRM2 P08172 8/20 0.49
CHRM4 P08173 1/20 0.45
HTR1A P08908 1/20 0.45
CHRM5 P08912 1/20 0.45
ADRA2A P08913 1/20 0.45
DRD2 P14416 1/20 0.45
ADRA2B P18089 1/20 0.45
DRD4 P21917 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
HRH1 P35367 1/20 0.45
ADRA1B P35368 1/20 0.45
HTR3E A5X5Y0 1/20 0.43
HTR3B O95264 1/20 0.43
CHRNA7 P36544 1/20 0.43
HTR3A P46098 1/20 0.43
HTR3D Q70Z44 1/20 0.43
HTR3C Q8WXA8 1/20 0.43

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
SCHEMBL13134299 1.00 CHRM3 (0.49) CHRM3CHRM1CHRM2CHRM4HTR1A
SCHEMBL3521922 0.84 CHRM3 (0.48) CHRM3CHRM1CHRM2HTR3EHTR3B
SCHEMBL3783317 0.82 CHRM3 (0.46) CHRM3CHRM1CHRM2HTR3EHTR3B
SCHEMBL4917429 0.81 HTR3E (0.56) CHRM3CHRM1CHRM2HTR3EHTR3B
SCHEMBL4917433 0.81 HTR3E (0.56) CHRM3CHRM1CHRM2HTR3EHTR3B
SCHEMBL11868577 0.76 CHRNB2 (0.50) CHRM3CHRM1CHRM2CHRM4HTR1A
SCHEMBL10567044 0.73 CHRM3 (0.43) CHRM3CHRM1CHRM2HTR3EHTR3B
SCHEMBL7305940 0.71 TFPI2 (0.45) CHRM3CHRM1CHRM2HTR3EHTR3B
Hydrochloric Acid SCHEMBL7303177 0.70 TFPI2 (0.44) CHRM3CHRM1CHRM2HTR3A
SCHEMBL3521530 0.70 CHRM3 (0.50) CHRM3CHRM1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-8252810-B2 Bicycloamine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-08-28 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20100331310-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-30 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 US disclosed
US-20090270369-A1 BICYCLOAMINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-10-29 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-20100331310-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 CHRM3 315/4885CHRM1 135/4885CHRM2 149/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 CHRM3 315/4885CHRM1 135/4885CHRM2 149/4885

“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.