SCHEMBL5954810

SCHEMBL5954810

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

nearest known ligand 0.34

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 11/20 0.34
CHRNB2 P17787 7/20 0.33
CHRNA4 P43681 7/20 0.33
TSHR P16473 2/20 0.33
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
ALOX15 P16050 1/20 0.33
HTR3A P46098 1/20 0.33
HTR3D Q70Z44 1/20 0.33
HTR3C Q8WXA8 1/20 0.33
KMT2A Q03164 1/20 0.33
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
GAA P10253 2/20 0.31

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
SCHEMBL5955633 0.87 CHRNA7 (0.35) CHRNA7CHRNB2CHRNA4TSHRHTR3E
SCHEMBL5955557 0.86 ALDH1A1 (0.32) CHRNA7CHRNB2CHRNA4TSHRALDH1A1
SCHEMBL5955031 0.85 KCNK9 (0.31) CHRNA7CHRNB2CHRNA4KMT2A
SCHEMBL5955706 0.85 CHRNA7 (0.34) CHRNA7CHRNB2CHRNA4KMT2AALDH1A1
SCHEMBL5955010 0.83 KMT2A (0.43) CHRNA7CHRNB2CHRNA4TSHRKMT2A
SCHEMBL5954814 0.82 ALDH1A1 (0.33) TSHRALDH1A1
SCHEMBL5955552 0.82 CHRNA7 (0.35) CHRNA7CHRNB2CHRNA4
SCHEMBL5955699 0.81 CHRNB2 (0.34) CHRNA7CHRNB2CHRNA4KMT2AALDH1A1
SCHEMBL5955528 0.81 EPHX2 (0.33) CHRNA7
SCHEMBL5954750 0.81 EBP (0.36) TSHRALDH1A1

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-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

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.