SCHEMBL5373089

SCHEMBL5373089

O=C(N[C@@H]1C[C@H]2CCN(C2)C1)n1cc(-c2ccccc2)cn1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.46
CYP46A1 Q9Y6A2 2/20 0.36
USP30 Q70CQ3 2/20 0.36
DRD2 P14416 2/20 0.35
DRD4 P21917 2/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34
MEN1 O00255 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSK P43235 1/20 0.34

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
SCHEMBL5373093 1.00 CHRNA7 (0.46) CHRNA7CYP46A1USP30DRD2DRD4
SCHEMBL5376681 0.94 CHRNA7 (0.39) CHRNA7CYP46A1USP30DRD2DRD4
SCHEMBL5376824 0.89 CHRNA7 (0.42) CHRNA7CYP46A1USP30JAK1JAK3
SCHEMBL5376826 0.89 CHRNA7 (0.42) CHRNA7CYP46A1USP30JAK1JAK3
SCHEMBL5382100 0.89 CHRNA7 (0.44) CHRNA7USP30DRD2DRD4JAK1
SCHEMBL5368678 0.89 CHRNA7 (0.44) CHRNA7USP30MEN1NPC1RAB9A
SCHEMBL5368669 0.89 CHRNA7 (0.44) CHRNA7USP30MEN1NPC1RAB9A
SCHEMBL5368281 0.89 CHRNA7 (0.58) CHRNA7USP30DRD2DRD4SMN1; SMN2
SCHEMBL5382095 0.89 CHRNA7 (0.44) CHRNA7USP30DRD2DRD4JAK1
SCHEMBL5368276 0.89 CHRNA7 (0.58) CHRNA7USP30DRD2DRD4SMN1; SMN2

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 8/4885CYP46A1 296/4885USP30 4247/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885CYP46A1 297/4885USP30 4397/4885

“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.