SCHEMBL6083553

SCHEMBL6083553

C1=C(C2CCNC2)CCC1

nearest known ligand 0.47

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.44
PDE4B Q07343 1/20 0.36
KDM1A O60341 1/20 0.34
JAK3 P52333 1/20 0.34
HTR2A P28223 1/20 0.33
HTR2C P28335 1/20 0.33

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
SCHEMBL6935830 0.86 GABRP (0.39) HTR3AHTR2AHTR2C
Bromide SCHEMBL11270772 0.83 KDM1A (0.39) KDM1AHTR2AHTR2C
SCHEMBL6120653 0.82 CYP2D6 (0.38) HTR3APDE4BKDM1AHTR2AHTR2C
SCHEMBL27752202 0.82 KDM1A (0.44) HTR3AKDM1AHTR2C
SCHEMBL5807021 0.79
SCHEMBL1650443 0.76 HRH4 (0.37) HTR3AHTR2C
SCHEMBL8368356 0.75
SCHEMBL1234810 0.73 MAPT (0.42) KDM1A
SCHEMBL7144001 0.72 MAPT (0.41) KDM1A
SCHEMBL1053967 0.72 MAPT (0.41) KDM1A

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-7105516-B2 Compounds for the treatment of premature ejaculation BRISTOL-MYERS SQUIBB COMPANY (US) 2006-09-12 US disclosed
WO-2004026237-A2 COMPOUNDS FOR THE TREATMENT OF PREMATURE EJACULATION BRISTOL-MYERS SQUIBB COMPANY (US) 2004-04-01 WO disclosed
US-20040063768-A1 Compounds for the treatment of premature ejaculation BRISTOL-MYERS SQUIBB COMPANY 2004-04-01 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-20040063768-A1 Compounds for the treatment of premature ejaculation HTR5A, SLC18A2, CYP17A1 HTR3A 60/4885PDE4B 207/4885KDM1A 3006/4885

“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.