SCHEMBL5955552

SCHEMBL5955552

C[C@H]1[C@H](NC(=O)n2ccc(-c3ccccc3Cl)c2)C2CCN1CC2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNA4 P43681 1/20 0.35
AKR1C3 P42330 2/20 0.34
AKR1C1 Q04828 1/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
FPR2 P25090 1/20 0.34
CNR1 P21554 5/20 0.33
HSD11B1 P28845 2/20 0.33
MAPK13 O15264 2/20 0.33
CNR2 P34972 1/20 0.32
CASP3 P42574 1/20 0.32
SENP8 Q96LD8 1/20 0.32
SENP7 Q9BQF6 1/20 0.32
SENP6 Q9GZR1 1/20 0.32

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
SCHEMBL5954713 0.88 CHRNA7 (0.35) CHRNA7CNR1
SCHEMBL5955547 0.87 FPR2 (0.35) CHRNA7CHRNB2CHRNA4FPR2
SCHEMBL5955581 0.86 CHRNA7 (0.39) CHRNA7CHRNB2CHRNA4FPR2
SCHEMBL5955699 0.85 CHRNB2 (0.34) CHRNA7CHRNB2CHRNA4NPC1RAB9A
SCHEMBL5955633 0.84 CHRNA7 (0.35) CHRNA7CHRNB2CHRNA4
SCHEMBL5955010 0.82 KMT2A (0.43) CHRNA7CHRNB2CHRNA4HSD11B1
SCHEMBL5954810 0.82 CHRNA7 (0.34) CHRNA7CHRNB2CHRNA4
SCHEMBL5954740 0.82 CHRNA7 (0.39) CHRNA7AKR1C3AKR1C1NPC1RAB9A
SCHEMBL5955037 0.81 CHRNA7 (0.38) CHRNA7CHRNB2CHRNA4AKR1C3AKR1C1
SCHEMBL5954750 0.80 EBP (0.36) NPC1RAB9AFPR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060116395-A1 1H-pyrazole and 1h-pyrole-azabicyclic compounds for the treatment of disease PFIZER INC 2006-06-01 US claimed
EP-1542999-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY Pharmacia & Upjohn Company LLC (US) 2005-06-22 EP 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
WO-2004013137-A1 1H-PYRAZOLE AND 1H-PYRROLE-AZABICYCLIC COMPOUNDS WITH ALFA-7 NACHR ACTIVITY PHARMACIA & UPJOHN COMPANY LLC (US) 2004-02-12 WO claimed

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 8/4885CHRNB2 170/4885CHRNA4 85/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885CHRNB2 3958/4885CHRNA4 3568/4885

“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.