SCHEMBL5954872

SCHEMBL5954872

CC1CC2CCN1C[C@@H]2NC(=O)n1ccc(I)c1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.31
ALOX15 P16050 2/20 0.30
HTR3E A5X5Y0 1/20 0.30
HTR3B O95264 1/20 0.30
TSHR P16473 1/20 0.30
HTR3A P46098 1/20 0.30
HTR3D Q70Z44 1/20 0.30
HTR3C Q8WXA8 1/20 0.30
CHRM2 P08172 2/20 0.30
ADRA2A P08913 2/20 0.30
CHRM1 P11229 2/20 0.30
ADRA2B P18089 2/20 0.30
CHRM3 P20309 2/20 0.30
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
HTR4 Q13639 2/20 0.30
CYP1A2 P05177 1/20 0.30
CHRM4 P08173 1/20 0.30
CYP2D6 P10635 1/20 0.30
CYP2C9 P11712 1/20 0.30

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
SCHEMBL5955542 0.87 CHRNA7 (0.33) CHRNA7ALOX15HTR3EHTR3BTSHR
SCHEMBL5954921 0.86 CHRNA7 (0.38) CHRNA7ALOX15HTR3EHTR3BTSHR
SCHEMBL5955730 0.86 CHRNA7 (0.38) CHRNA7ALOX15HTR3EHTR3BTSHR
SCHEMBL5955671 0.84 ALDH1A1 (0.33) CHRNA7
SCHEMBL5954978 0.83 KDM1A (0.33) CHRNA7HTR3ACHRM2CHRM1CHRM4
SCHEMBL5955668 0.83 CHRNA7 (0.36) CHRNA7ALOX15HTR3EHTR3BHTR3A
SCHEMBL5955750 0.82 EBP (0.33) CHRNA7ALOX15TSHRCHRM2ADRA2A
SCHEMBL5955695 0.81 CHRNA7 (0.39) CHRNA7ALOX15HTR3EHTR3BTSHR
SCHEMBL5955622 0.81 CHRM3 (0.35) CHRNA7CHRM2CHRM1CHRM3CYP2D6
SCHEMBL5380364 0.80 CHRNA7 (0.49) CHRNA7ALOX15HTR3EHTR3BTSHR

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 CHRNA7 8/4885ALOX15 957/4885HTR3E 1732/4885
US-20040087616-A1 1H-pyrazole and 1H-pyrrole-azabicyclic compounds for the treatment of disease CYP1B1, TPMT, CYP7B1 CHRNA7 2586/4885ALOX15 359/4885HTR3E 3531/4885

“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.