SCHEMBL6098985

SCHEMBL6098985

COc1cnc(C(=O)NC2CN3CC[C@H]2C3)cc1Cl

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 5/20 0.54
HTR3E A5X5Y0 3/20 0.54
HTR3B O95264 3/20 0.54
HTR3D Q70Z44 3/20 0.54
HTR3C Q8WXA8 3/20 0.54
HTR5A P47898 1/20 0.54
MEN1 O00255 1/20 0.54
CYP2D6 P10635 1/20 0.54
CYP2C9 P11712 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.54
MAPK1 P28482 1/20 0.53
CHRNA7 P36544 2/20 0.49
NPSR1 Q6W5P4 1/20 0.48

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
SCHEMBL6098142 0.94 HTR3A (0.61) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6100681 0.84 HTR3A (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6101655 0.83 HTR3A (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6098440 0.82 HTR3A (0.53) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6101425 0.82 CHRNA7 (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6101418 0.82 CHRNA7 (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6100858 0.81 HTR3A (0.52) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6098212 0.81 CHRNA7 (0.57) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6099896 0.80 CHRNA7 (0.50) HTR3AHTR3EHTR3BHTR3DHTR3C
SCHEMBL6099745 0.80 HTR3A (0.49) HTR3AHTR3EHTR3BHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-7001900-B2 Azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2006-02-21 US disclosed
US-20030236270-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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 (1 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-20030236270-A1 Azabicyclic compounds for the treatment of disease MALT1, TPMT, CYP2B6 HTR3A 3325/4885HTR3E 4210/4885HTR3B 2884/4885

“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.