Sugi Predict

Sugi Predict / Compounds / SCHEMBL6417982

SCHEMBL6417982

SCHEMBL6417982

O=C(N[C@@H]1C[C@H]2CC[C@@H]1N2)c1ccn2ccc(Cl)c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A3 Q01959 4/20 0.36
▸ SLC6A4 P31645 3/20 0.36
▸ TAS1R3 Q7RTX0 4/20 0.36
▸ TAS1R2 Q8TE23 2/20 0.36
▸ CHRNA7 P36544 2/20 0.35
▸ CHRNA1 P02708 1/20 0.35
▸ CHRNG P07510 1/20 0.35
▸ ITGA5 P08648 1/20 0.35
▸ CHRNB1 P11230 1/20 0.35
▸ CHRNB2 P17787 1/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ CHRNB4 P30926 1/20 0.35
▸ CHRNA3 P32297 1/20 0.35
▸ CHRNA4 P43681 1/20 0.35
▸ CHRND Q07001 1/20 0.35
▸ GRM5 P41594 2/20 0.35
▸ F10 P00742 6/20 0.35
▸ TAS1R1 Q7RTX1 3/20 0.34
▸ PLAT P00750 1/20 0.33
▸ KLKB1 P03952 1/20 0.33

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
SCHEMBL6417911 0.86 SLC6A3 (0.35) SLC6A3SLC6A4CHRNA1CHRNGITGA5
SCHEMBL6416622 0.86 CHRNA7 (0.43) CHRNA7GRM5
SCHEMBL6412549 0.85 CHRNA7 (0.37) SLC6A3SLC6A4TAS1R3TAS1R2CHRNA7
SCHEMBL6413517 0.84 SLC6A2 (0.35) SLC6A3SLC6A4CHRNA7SLC6A2
SCHEMBL6412614 0.84 KDM1A (0.39) CHRNA7GRM5
SCHEMBL6413628 0.83 CHRNA7 (0.37) SLC6A3SLC6A4CHRNA7CHRNA1CHRNG
SCHEMBL6412490 0.82 CHRNA7 (0.50) SLC6A3SLC6A4TAS1R3TAS1R2CHRNA7
SCHEMBL6414838 0.81 CHRNA7 (0.43) CHRNA7CHRNB4CHRNA3GRM5
SCHEMBL6412974 0.81 NPC1 (0.38) SLC6A3SLC6A4TAS1R3TAS1R2CHRNA7
SCHEMBL6418418 0.80 CHRNA7 (0.50) SLC6A3CHRNA7

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 SLC6A3 3803/4885SLC6A4 3294/4885TAS1R3 3989/4885
US-20050215584-A1 Fused bicyclic-N-bridged-heteroaromatic carboxamides for the treatment of disease CHRNA7, UGT2B7, CHRNA5 SLC6A3 2347/4885SLC6A4 2118/4885TAS1R3 3980/4885

“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.