SCHEMBL6413652

SCHEMBL6413652

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1cn2cc(Cl)cc2cn1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.35
CHRNB2 P17787 6/20 0.33
CHRNA4 P43681 6/20 0.33
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
CHRNA7 P36544 4/20 0.32
CHRNB4 P30926 2/20 0.32
CHRNA3 P32297 2/20 0.32
ALDH1A1 P00352 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
CHRNA1 P02708 1/20 0.32
CHRNG P07510 1/20 0.32
CHRNB1 P11230 1/20 0.32
HPGD P15428 1/20 0.32
CHRND Q07001 1/20 0.32
CHRNA2 Q15822 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL6411873 0.87 CHRNA7 (0.34) CHRNA7
SCHEMBL6417953 0.87 IRAK4 (0.33) CHRNB2CHRNA4SLC6A4SLC6A3
SCHEMBL6412215 0.85 CHRNA7 (0.37) HTR3ACHRNB2CHRNA4SLC6A4SLC6A3
SCHEMBL6417453 0.85 KDM1A (0.36) CHRNB2CHRNA4
SCHEMBL6412293 0.85 SLC6A2 (0.35) SLC6A4SLC6A3
SCHEMBL5917871 0.83 CHRNA7 (0.36) CHRNB2CHRNA4SLC6A4SLC6A3CHRNA7
SCHEMBL6418514 0.83 SMYD3 (0.32)
SCHEMBL6412154 0.82 HTR3A (0.34) HTR3ACHRNB2CHRNA4CHRNA7CHRNB4
Hydrochloric Acid SCHEMBL6477044 0.82 CHRNA7 (0.36) CHRNB2CHRNA4SLC6A4SLC6A3CHRNA7
SCHEMBL6415347 0.81 HTR3A (0.35) HTR3ACHRNB2CHRNA4CHRNA7CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 US claimed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 US claimed
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC 2005-09-29 US disclosed
US-6858613-B2 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PFIZER INC. (US) 2005-02-22 US disclosed
US-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease PHARMACIA & UPJOHN COMPANY 2003-12-25 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-20030236264-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease NAT1, CYP11B1, COASY HTR3A 2944/4885CHRNB2 3127/4885CHRNA4 2256/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 HTR3A 788/4885CHRNB2 39/4885CHRNA4 18/4885

“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.