SCHEMBL3518322

SCHEMBL3518322

COc1ccc(CSC2CC3CCC(C2)N3C)cc1

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 2/20 0.46
CHRM3 P20309 2/20 0.46
CHRM2 P08172 1/20 0.46
CHRM5 P08912 1/20 0.44
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A2 P23975 2/20 0.41
APP P05067 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL3520050 1.00 CHRM1 (0.46) CHRM1CHRM3CHRM2CHRM5SLC6A4
SCHEMBL3518321 1.00 CHRM1 (0.46) CHRM1CHRM3CHRM2CHRM5SLC6A4
SCHEMBL9414489 0.79 SIGMAR1 (0.46) CHRM1CHRM3CHRM5APPSIGMAR1
SCHEMBL12992270 0.78 SIGMAR1 (0.45) APPSIGMAR1HRH3
SCHEMBL9414462 0.78 SIGMAR1 (0.45) APPSIGMAR1HRH3
SCHEMBL12012244 0.78 SLC6A2 (0.42) SLC6A4SLC6A3SLC6A2APP
SCHEMBL4475967 0.77 SLC6A3 (0.47) CHRM1CHRM3CHRM2SLC6A4SLC6A3
SCHEMBL5635722 0.77 SLC6A3 (0.47) CHRM1CHRM3CHRM2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL3519057 0.77 IDO1 (0.42) SLC6A4SLC6A3SLC6A2APP
Hydrochloric Acid SCHEMBL3525802 0.77 IDO1 (0.42) SLC6A4SLC6A3SLC6A2APP

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 12 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
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP disclosed
EP-2241567-A1 BICYCLOAMINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-10-20 EP 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
WO-2009101917-A1 BICYCLOAMINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-08-20 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 (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 CHRM1 135/4885CHRM3 315/4885CHRM2 149/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 CHRM1 135/4885CHRM3 315/4885CHRM2 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.