SCHEMBL5954713

SCHEMBL5954713

Cc1ccccc1-c1ccn(C(=O)N[C@@H]2C3CCN(CC3)[C@H]2C)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.35
PAX8 Q06710 1/20 0.35
CREBBP Q92793 5/20 0.34
GRIN2B Q13224 1/20 0.34
TRIM24 O15164 1/20 0.32
SLC6A7 Q99884 1/20 0.32
CNR1 P21554 1/20 0.32
BRD4 O60885 1/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
POLB P06746 1/20 0.31
ALOX15 P16050 1/20 0.31
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
HTR7 P34969 1/20 0.31
ABL1 P00519 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
SCHEMBL5955547 0.88 FPR2 (0.35) CHRNA7PAX8CREBBPGRIN2BBRD4
SCHEMBL5955552 0.88 CHRNA7 (0.35) CHRNA7CNR1
SCHEMBL5955581 0.87 CHRNA7 (0.39) CHRNA7
SCHEMBL5955699 0.86 CHRNB2 (0.34) CHRNA7POLB
SCHEMBL5954750 0.83 EBP (0.36)
SCHEMBL5955656 0.82 CHRNA7 (0.39) CHRNA7GRIN2B
SCHEMBL5955557 0.81 ALDH1A1 (0.32) CHRNA7
SCHEMBL5955689 0.81 CHRNA7 (0.39) CHRNA7PAX8GRIN2BBRD4ALOX15
SCHEMBL5955536 0.81 CHRNA7 (0.38) CHRNA7CREBBPSLC6A7BRD4ABL1
SCHEMBL5955661 0.81 GRIN2B (0.35) CHRNA7PAX8CREBBPGRIN2BTRIM24

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 8/4885PAX8 1226/4885CREBBP 3535/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885PAX8 1771/4885CREBBP 1945/4885

“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.