SCHEMBL5954818

SCHEMBL5954818

Cc1cccc(-c2cnn(C(=O)N[C@H]3CN4CCC3CC4C)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.41
KMT2A Q03164 3/20 0.35
GRIN2B Q13224 4/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
GFER P55789 1/20 0.34
CREBBP Q92793 1/20 0.33
MEN1 O00255 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GRM5 P41594 1/20 0.33
SLC6A9 P48067 1/20 0.33
EPHX2 P34913 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
SCHEMBL5955677 0.90 ALPI (0.39) CHRNA7KMT2AIRAK4ALDH1A1
SCHEMBL5954762 0.90 MEN1 (0.38) KMT2AGRIN2BIRAK4MEN1
SCHEMBL5955684 0.89 CHRNA7 (0.38) CHRNA7KMT2AMEN1EPHX2
SCHEMBL5954836 0.88 USP30 (0.34) CHRNA7CREBBPEPHX2
SCHEMBL6827536 0.88 KMT2A (0.40) KMT2AMEN1ALDH1A1EPHX2
SCHEMBL5955680 0.86 KDM4E (0.35) CHRNA7KMT2AMEN1USP2EPHX2
SCHEMBL5373239 0.85 CHRNA7 (0.56) CHRNA7
SCHEMBL5955570 0.84 CHRNA7 (0.38) CHRNA7GRIN2B
SCHEMBL5955658 0.84 ALDH1A1 (0.37) CHRNA7ALDH1A1
SCHEMBL5955643 0.83 USP30 (0.36) ALDH1A1

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 8/4885KMT2A 3838/4885GRIN2B 290/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885KMT2A 4136/4885GRIN2B 741/4885

“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.