SCHEMBL5653607

SCHEMBL5653607

O=C(NC1CN2CCC1CC2)C1=CC(c2nc3ccc(C(F)(F)F)cc3[nH]2)=CCC1=S

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 7/20 0.39
CHRNA7 P36544 7/20 0.39
HTR3A P46098 3/20 0.39
SOAT1 P35610 2/20 0.37
KCNH2 Q12809 3/20 0.37
ADORA2A P29274 1/20 0.37
HTR3E A5X5Y0 1/20 0.37
HTR3B O95264 1/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
HTR3D Q70Z44 1/20 0.37
HTR3C Q8WXA8 1/20 0.37
HRH4 Q9H3N8 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36

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
SCHEMBL5653612 0.78 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5651260 0.75 DGAT1 (0.48) DGAT1KCNH2
SCHEMBL5648361 0.73 FLT3 (0.43) DGAT1SOAT1KCNH2
SCHEMBL5653613 0.71 CHRNA7 (0.52) CHRNA7HTR3AHTR3EHTR3BHTR3D
SCHEMBL5997360 0.68 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL1964278 0.68 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL1966249 0.68 CHRNA7 (0.70) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL13849257 0.68 CHEK1 (0.46) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL2228213 0.67 CHRNA7 (0.71) CHRNA7HTR3AHTR3EHTR3BALOX15
SCHEMBL2228216 0.67 CHRNA7 (0.71) CHRNA7HTR3AHTR3EHTR3BALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7220769-B2 Azolylbenzamides and analogues and their use for treating osteoporosis NIKEM RESEARCH S.R.L. (IT) 2007-05-22 US disclosed
US-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis 3-V BIOSCIENCES, INC. 2005-02-17 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-20050038095-A1 Azolylbenzamides and analogues and their use for treating osteoporosis NR0B2, NR0B1, NCOR1 DGAT1 2386/4885CHRNA7 3434/4885HTR3A 3722/4885

“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.