SCHEMBL5954762

SCHEMBL5954762

CC1CC2CCN1C[C@@H]2NC(=O)n1cc(-c2cccc(F)c2)cn1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
F2R P25116 4/20 0.36
ADRB2 P07550 2/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
ALPL P05186 1/20 0.35
PAX8 Q06710 1/20 0.35
DYRK1A Q13627 1/20 0.35
MAP4K4 O95819 1/20 0.35
GRIN2B Q13224 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
IRAK4 Q9NWZ3 1/20 0.34

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
SCHEMBL5954818 0.90 CHRNA7 (0.41) MEN1KMT2AGRIN2BIRAK4
SCHEMBL5955677 0.89 ALPI (0.39) KMT2AALPLCHRNB2CHRNA4IRAK4
SCHEMBL5955643 0.89 USP30 (0.36) DRD2DRD4CHRM3PAX8DYRK1A
SCHEMBL5955684 0.88 CHRNA7 (0.38) MEN1KMT2A
SCHEMBL6827536 0.87 KMT2A (0.40) MEN1KMT2APAX8CHRNB2CHRNA4
SCHEMBL5955680 0.85 KDM4E (0.35) MEN1KMT2ACHRNB2CHRNA4
SCHEMBL5373638 0.84 CHRM2 (0.49) CHRM2CHRM1CHRM3CHRNB2CHRNA4
SCHEMBL5954725 0.84 CHRNA7 (0.35) MEN1KMT2AF2RPAX8DYRK1A
SCHEMBL5954836 0.84 USP30 (0.34) DYRK1A
SCHEMBL5954761 0.83 DRD2 (0.36) MEN1KMT2AF2RDRD2DRD4

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 MEN1 908/4885KMT2A 3838/4885F2R 2658/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 MEN1 338/4885KMT2A 4136/4885F2R 2870/4885

“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.