SCHEMBL5954814

SCHEMBL5954814

CSc1ccn(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2C)c1

nearest known ligand 0.36

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
MAPT P10636 2/20 0.32
RXFP1 Q9HBX9 1/20 0.32
TSHR P16473 1/20 0.32
SIGMAR1 Q99720 1/20 0.31
GPR119 Q8TDV5 1/20 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
SCHEMBL5955557 0.84 ALDH1A1 (0.32) ALDH1A1MAPTTSHR
SCHEMBL5955031 0.82 KCNK9 (0.31)
SCHEMBL5954810 0.82 CHRNA7 (0.34) ALDH1A1TSHR
SCHEMBL5955706 0.82 CHRNA7 (0.34) ALDH1A1MAPT
SCHEMBL5955699 0.80 CHRNB2 (0.34) ALDH1A1MAPT
SCHEMBL5955528 0.80 EPHX2 (0.33)
SCHEMBL5955671 0.79 ALDH1A1 (0.33) ALDH1A1MAPTRXFP1
SCHEMBL5954750 0.79 EBP (0.36) ALDH1A1MAPTTSHR
SCHEMBL5955571 0.78 USP30 (0.35) ALDH1A1TSHR
SCHEMBL5955633 0.78 CHRNA7 (0.35) ALDH1A1TSHR

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 ALDH1A1 426/4885MAPT 2148/4885RXFP1 2654/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 ALDH1A1 112/4885MAPT 2515/4885RXFP1 3638/4885

“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.