SCHEMBL6482341

SCHEMBL6482341

O=C(N[C@@H]1C[C@@H]2CCN(C2)C1)c1ccc2[nH]ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 10/20 0.63
SMYD3 Q9H7B4 2/20 0.55
KDM5A P29375 2/20 0.51
HTR3A P46098 1/20 0.47
MAPK11 Q15759 1/20 0.45
MAPK14 Q16539 1/20 0.45
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC3 O15379 1/20 0.42
HDAC4 P56524 1/20 0.42
HDAC7 Q8WUI4 1/20 0.42
HDAC10 Q969S8 1/20 0.42
HDAC11 Q96DB2 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42
HDAC9 Q9UKV0 1/20 0.42
HDAC5 Q9UQL6 1/20 0.42

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
SCHEMBL6481419 1.00 CHRNA7 (0.63) CHRNA7SMYD3KDM5AHTR3AMAPK11
SCHEMBL6489878 0.94 CHRNA7 (0.58) CHRNA7SMYD3KDM5AHTR3AMAPK11
SCHEMBL6488622 0.92 CHRNA7 (0.65) CHRNA7SMYD3KDM5AHTR3AMAPK11
SCHEMBL6488630 0.92 CHRNA7 (0.65) CHRNA7SMYD3KDM5AHTR3AMAPK11
SCHEMBL6651844 0.92 CHRNA7 (0.65) CHRNA7SMYD3KDM5AHTR3AMAPK11
SCHEMBL6488440 0.86 CHRNA7 (0.69) CHRNA7SMYD3KDM5AHTR3AMAPK11
SCHEMBL6392146 0.82 CHRNA7 (0.67) CHRNA7SMYD3HTR3A
SCHEMBL6392138 0.82 CHRNA7 (0.67) CHRNA7SMYD3HTR3A
SCHEMBL6392170 0.82 CHRNA7 (0.61) CHRNA7MAPK14MAOB
SCHEMBL6392175 0.82 CHRNA7 (0.61) CHRNA7MAPK14MAOB

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 US claimed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US claimed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US claimed
US-6894042-B2 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY (US) 2005-05-17 US disclosed
US-20040224976-A1 Azabicyclic compounds for the treatment of disease WALKER DANIEL PATRICK (US) 2004-11-11 US disclosed
US-20030232853-A1 Azabicyclic compounds for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-18 US disclosed

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-20030232853-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 CHRNA7 2449/4885SMYD3 2694/4885KDM5A 265/4885
US-20040224976-A1 Azabicyclic compounds for the treatment of disease TPMT, MALT1, AZI2 CHRNA7 2449/4885SMYD3 2694/4885KDM5A 265/4885

“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.