SCHEMBL5955656

SCHEMBL5955656

Cc1cccc(-c2ccn(C(=O)N[C@@H]3C4CCN(CC4)[C@H]3C)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.39
KMT2A Q03164 2/20 0.38
GFER P55789 1/20 0.35
GRIN2B Q13224 4/20 0.35
ALDH1A1 P00352 3/20 0.34
NPSR1 Q6W5P4 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ICMT O60725 1/20 0.34
RAB9A P51151 1/20 0.34
GPR119 Q8TDV5 1/20 0.33
RXFP1 Q9HBX9 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
SCHEMBL5955010 0.88 KMT2A (0.43) CHRNA7KMT2AALDH1A1SMN1; SMN2
SCHEMBL5954891 0.88 CHRNB2 (0.37) CHRNA7KMT2AGRIN2B
SCHEMBL5955699 0.88 CHRNB2 (0.34) CHRNA7KMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL5954750 0.87 EBP (0.36) ALDH1A1NPSR1MAPTRAB9A
SCHEMBL5954731 0.87 ALDH1A1 (0.39) KMT2AALDH1A1SMN1; SMN2RAB9A
SCHEMBL5955557 0.83 ALDH1A1 (0.32) CHRNA7ALDH1A1NPSR1MAPTSMN1; SMN2
SCHEMBL5955737 0.82 CHRNA7 (0.41) CHRNA7
SCHEMBL5954713 0.82 CHRNA7 (0.35) CHRNA7GRIN2B
SCHEMBL5954929 0.82 CHRNA7 (0.42) CHRNA7KMT2AGFERGRIN2BALDH1A1
SCHEMBL5955571 0.81 USP30 (0.35) CHRNA7KMT2AALDH1A1

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 8/4885KMT2A 3838/4885GFER 4434/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885KMT2A 4136/4885GFER 3779/4885

“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.