SCHEMBL3783317

SCHEMBL3783317

COc1ccccc1C(=O)CC1CC2CCC(C1)N2C

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 3/20 0.46
CHRM2 P08172 2/20 0.46
CHRM1 P11229 2/20 0.46
NPC1 O15118 1/20 0.46
KDM2B Q8NHM5 2/20 0.46
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPK14 Q16539 1/20 0.45
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
P2RX7 Q99572 1/20 0.43
CYP2D6 P10635 1/20 0.43
PIN1 Q13526 1/20 0.43
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
SCHEMBL3779323 0.82 CHRM3 (0.49) CHRM3CHRM2CHRM1CYP2C9CYP2C19
SCHEMBL13134299 0.82 CHRM3 (0.49) CHRM3CHRM2CHRM1CYP2C9CYP2C19
SCHEMBL3521922 0.81 CHRM3 (0.48) CHRM3CHRM2CHRM1CYP2C9CYP2C19
SCHEMBL4917429 0.77 HTR3E (0.56) CHRM3CHRM2CHRM1HTR3EHTR3B
SCHEMBL4917433 0.77 HTR3E (0.56) CHRM3CHRM2CHRM1HTR3EHTR3B
SCHEMBL1475097 0.77 MAOA (0.49) NPC1KDM2BCYP2C9CYP2C19MAPK14
SCHEMBL3525392 0.73 CHRM3 (0.45) CHRM3CHRM2CHRM1
SCHEMBL9732092 0.73
SCHEMBL3781355 0.71 SIGMAR1 (0.51)
SCHEMBL3781357 0.71 SIGMAR1 (0.51)

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 315/4885CHRM2 149/4885CHRM1 135/4885
US-20090270369-A1 BICYCLOAMINE DERIVATIVES SCN1B, KCNJ2, KCNH2 CHRM3 315/4885CHRM2 149/4885CHRM1 135/4885

“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.