SCHEMBL3521922

SCHEMBL3521922

CN1C2CCC1CC(CC(=O)c1ccccc1F)C2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM3 P20309 10/20 0.48
CHRM2 P08172 7/20 0.48
CHRM1 P11229 7/20 0.48
KMT2A Q03164 1/20 0.45
ALDH1A1 P00352 1/20 0.44
PKM P14618 1/20 0.44
HSD17B10 Q99714 1/20 0.44
GAA P10253 1/20 0.44
HTR3A P46098 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
CHRNA7 P36544 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK14 Q16539 1/20 0.41
PTPN1 P18031 1/20 0.41
ERCC5 P28715 1/20 0.41
FEN1 P39748 1/20 0.41

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 0.84 CHRM3 (0.49) CHRM3CHRM2CHRM1HTR3AHTR3E
SCHEMBL3779323 0.84 CHRM3 (0.49) CHRM3CHRM2CHRM1HTR3AHTR3E
SCHEMBL3783317 0.81 CHRM3 (0.46) CHRM3CHRM2CHRM1KMT2AHTR3A
SCHEMBL3519589 0.80 CHRM2 (0.48) CHRM3CHRM2CHRM1PKMPTPN1
SCHEMBL3519594 0.80 CHRM2 (0.48) CHRM3CHRM2CHRM1PKMPTPN1
SCHEMBL28092212 0.80 PTPN1 (0.51) KMT2AALDH1A1PKMHSD17B10GAA
SCHEMBL4917433 0.80 HTR3E (0.56) CHRM3CHRM2CHRM1HTR3AHTR3E
SCHEMBL4917429 0.80 HTR3E (0.56) CHRM3CHRM2CHRM1HTR3AHTR3E
SCHEMBL3522727 0.78 CHRM3 (0.46) CHRM3CHRM2CHRM1HTR3AHTR3E
SCHEMBL9020108 0.78 HTR3A (0.44) CHRM3CHRM2CHRM1KMT2AALDH1A1

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 10 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
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.