SCHEMBL5368281

SCHEMBL5368281

O=C(NC1CC2CCN(C2)C1)n1cc(-c2ccc(Cl)cc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 8/20 0.58
MAP4K4 O95819 1/20 0.37
DRD2 P14416 1/20 0.37
DRD4 P21917 1/20 0.37
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
USP30 Q70CQ3 1/20 0.34
CHEK1 O14757 1/20 0.34
KIT P10721 1/20 0.34
PDE4A P27815 1/20 0.33
PDE4B Q07343 1/20 0.33
PDE4C Q08493 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL5368276 1.00 CHRNA7 (0.58) CHRNA7MAP4K4DRD2DRD4CNR1
SCHEMBL5376285 0.94 CHRNA7 (0.50) CHRNA7MAP4K4DRD2DRD4CNR1
SCHEMBL5382095 0.89 CHRNA7 (0.44) CHRNA7DRD2DRD4USP30
SCHEMBL5368669 0.89 CHRNA7 (0.44) CHRNA7CNR1CNR2USP30KIT
SCHEMBL5368678 0.89 CHRNA7 (0.44) CHRNA7CNR1CNR2USP30KIT
SCHEMBL5382100 0.89 CHRNA7 (0.44) CHRNA7DRD2DRD4USP30
SCHEMBL5373093 0.89 CHRNA7 (0.46) CHRNA7DRD2DRD4USP30SMN1; SMN2
SCHEMBL5373089 0.89 CHRNA7 (0.46) CHRNA7DRD2DRD4USP30SMN1; SMN2
SCHEMBL5373459 0.88 CHRNA7 (0.48) CHRNA7CNR2USP30PDE4APDE4B
SCHEMBL5373457 0.88 CHRNA7 (0.48) CHRNA7CNR2USP30PDE4APDE4B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7176198-B2 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2007-02-13 US claimed
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US claimed
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 US claimed
US-7176198-B2 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PFIZER INC. (US) 2007-02-13 US disclosed
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US disclosed
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 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-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease CYP7B1, P2RX7, CYP3A7 CHRNA7 8/4885MAP4K4 3714/4885DRD2 4113/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885MAP4K4 3811/4885DRD2 3963/4885

“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.