SCHEMBL5954761

SCHEMBL5954761

CC1CC2CCN1C[C@@H]2NC(=O)n1ccc(-c2cccc(F)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.36
DRD4 P21917 1/20 0.36
CHRM2 P08172 1/20 0.36
CHRM1 P11229 1/20 0.36
CHRM3 P20309 1/20 0.36
CHRNB2 P17787 3/20 0.35
CHRNB4 P30926 3/20 0.35
CHRNA3 P32297 3/20 0.35
CHRNA7 P36544 3/20 0.35
CHRNA4 P43681 3/20 0.35
GRM2 Q14416 1/20 0.35
KDM1A O60341 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HTR7 P34969 1/20 0.34
PAX8 Q06710 2/20 0.34
POLB P06746 1/20 0.34
DYRK1A Q13627 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL5954929 0.89 CHRNA7 (0.42) CHRNA7PAX8KMT2AGRIN2B
SCHEMBL5954778 0.89 KMT2A (0.40) CHRNA7GRM2KDM1AMAOAMAOB
SCHEMBL5955622 0.88 CHRM3 (0.35) DRD2DRD4CHRM2CHRM1CHRM3
SCHEMBL5955668 0.88 CHRNA7 (0.36) CHRM2CHRM1CHRM3CHRNA7
SCHEMBL5955523 0.87 CHRNB2 (0.38) CHRNB2CHRNA4GRM2KDM1AMAOA
SCHEMBL5386178 0.84 CHRM2 (0.51) CHRM2CHRM1CHRM3CHRNB2CHRNB4
SCHEMBL5955481 0.83 CHRNA7 (0.36) CHRM2CHRM1CHRM3CHRNB2CHRNB4
SCHEMBL5954762 0.83 MEN1 (0.38) DRD2DRD4CHRM2CHRM1CHRM3
SCHEMBL5955750 0.83 EBP (0.33) CHRM2CHRM1CHRM3CHRNA7PAX8
SCHEMBL5955568 0.83 NR4A2 (0.36) CHRNB2CHRNA7CHRNA4GRM2KDM1A

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 2 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
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease PIOTROWSKI DAVID W (US) 2004-05-06 US 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 DRD2 4113/4885DRD4 4116/4885CHRM2 267/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 DRD2 3963/4885DRD4 3917/4885CHRM2 2637/4885

“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.