SCHEMBL7108631

SCHEMBL7108631

N=C(N)N1CCNCC1C(=O)O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.32
SLC6A11 P48066 1/20 0.32
TSHR P16473 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
SLC6A13 Q9NSD5 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
ATM Q13315 1/20 0.32
NOS2 P35228 1/20 0.32
CYP2D6 P10635 1/20 0.32
CA1 P00915 2/20 0.30
CA2 P00918 2/20 0.30
CA4 P22748 2/20 0.30
CA9 Q16790 2/20 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
SCHEMBL5892838 0.85 SLC6A1 (0.34) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL27701676 0.85 SLC6A1 (0.34) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL27824226 0.84 SLC6A1 (0.33) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL538525 0.83 DPP4 (0.31) KDM4EMAPTKMT2AATMNOS2
SCHEMBL4383814 0.81 SLC6A1 (0.36) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL15542301 0.81 SLC6A1 (0.36) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL3272707 0.81 SLC6A1 (0.36) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL7348922 0.78 ATM (0.43) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL11235384 0.77 SLC6A1 (0.36) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL28737023 0.76 PARP1 (0.34)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6780875-B2 RESPIRATORY SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS; PSYCHOLOGICAL DISORDERS SMITHKLINE BEECHAM S.P.A. (IT) 2004-08-24 US disclosed
US-20030212101-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists SMITHKLINE BEECHAM S.P.A. (IT) 2003-11-13 US disclosed
EP-1131295-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS Smithkline Beecham S.p.A. (IT) 2001-09-12 EP disclosed
WO-2000031037-A1 QUINOLINE-4-CARBOXAMIDE DERIVATIVES AS NK-3 AND NK-2 RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM S.P.A. (IT) 2000-06-02 WO 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 (1 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-20030212101-A1 Quinoline-4-carboxamide derivatives as NK-3 and NK-2 receptor antagonists KCNH2, KCNA6, KCNA3 SLC6A1 444/4885SLC6A11 786/4885TSHR 631/4885

“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.