SCHEMBL5954725

SCHEMBL5954725

CC1CC2CCN1C[C@@H]2NC(=O)n1cc(-c2ccccc2F)cn1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 2/20 0.35
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
HTR3A P46098 1/20 0.35
USP30 Q70CQ3 6/20 0.35
PAX8 Q06710 2/20 0.34
FAAH O00519 2/20 0.33
WNT1 P04628 1/20 0.33
DYRK1A Q13627 1/20 0.33
KDM1A O60341 1/20 0.33
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
KMT2A Q03164 2/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
GRIN2B Q13224 1/20 0.33
ACKR3 P25106 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
SCHEMBL5955570 0.90 CHRNA7 (0.38) CHRNA7PAX8GRIN2B
SCHEMBL5955720 0.89 CHRNA7 (0.38) CHRNA7CHRNB2CHRNA4USP30
SCHEMBL5955652 0.88 CHRNA7 (0.42) CHRNA7CHRNB2CHRNA4HTR3AUSP30
SCHEMBL5955684 0.87 CHRNA7 (0.38) CHRNA7HTR3AKMT2AMEN1NPC1
SCHEMBL5955643 0.85 USP30 (0.36) USP30PAX8DYRK1ANPC1RAB9A
SCHEMBL5380226 0.84 CHRNA7 (0.47) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5954762 0.84 MEN1 (0.38) CHRNB2CHRNA4PAX8DYRK1AKMT2A
SCHEMBL5955810 0.83 CHRNA7 (0.40) CHRNA7CHRNB2CHRNA4USP30DYRK1A
SCHEMBL5955481 0.83 CHRNA7 (0.36) CHRNA7CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL5955538 0.82 CHRNB2 (0.38) CHRNA7CHRNB2CHRNA4USP30WNT1

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 8/4885CHRNB2 170/4885CHRNB4 217/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885CHRNB2 3958/4885CHRNB4 4117/4885

“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.