SCHEMBL6353299

SCHEMBL6353299

O=C(O)[C@H]1CNCC12CCCCC2

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A1 P30531 2/20 0.35
SLC6A11 P48066 1/20 0.35
TSHR P16473 1/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A13 Q9NSD5 1/20 0.35
SSTR4 P31391 2/20 0.33
HSD11B1 P28845 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
SCHEMBL6353304 1.00 SLC6A1 (0.35) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL6355747 1.00 SLC6A1 (0.35) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3832160 0.98 SLC6A1 (0.34) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL6357581 0.98 SLC6A1 (0.34) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
Hydrochloric Acid SCHEMBL3832164 0.98 SLC6A1 (0.34) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL21795372 0.90 SSTR4 (0.37) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL31516348 0.84 HRH3 (0.36) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL30720602 0.83 SLC6A1 (0.35) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL29892062 0.82 SLC6A1 (0.42) SLC6A1SLC6A11TSHRLMNASMN1; SMN2
SCHEMBL4340491 0.81 TSHR (0.38) SLC6A1SLC6A11TSHRLMNASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050250800-A1 Conformationally constrained compounds as pharmaceutical agents BRYANS JUSTIN S 2005-11-10 US claimed
US-20030119858-A1 Conformationally constrained compounds as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2003-06-26 US claimed
US-20020019540-A1 Conformationally constrained compounds as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2002-02-14 US claimed
US-6316638-B1 FOR THERAPY OF EPILEPSY, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, DEPRESSION, ANXIETY, PANIC, PAIN, AND NEUROPATHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY 2001-11-13 US claimed
US-20050250800-A1 Conformationally constrained compounds as pharmaceutical agents BRYANS JUSTIN S 2005-11-10 US disclosed
US-20030119858-A1 Conformationally constrained compounds as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2003-06-26 US disclosed
US-6489352-B2 ANTIEPILEPTIC AGENTS; NERVOUS SYSTEM DISORDERS WARNER-LAMBERT COMPANY 2002-12-03 US disclosed
US-20020019540-A1 Conformationally constrained compounds as pharmaceutical agents BRYANS JUSTIN STEPHEN (GB) 2002-02-14 US disclosed
US-6316638-B1 FOR THERAPY OF EPILEPSY, FAINTNESS ATTACKS, HYPOKINESIA, CRANIAL DISORDERS, NEURODEGENERATIVE DISORDERS, DEPRESSION, ANXIETY, PANIC, PAIN, AND NEUROPATHOLOGICAL DISORDERS WARNER-LAMBERT COMPANY 2001-11-13 US disclosed
EP-1082306-A1 CONFORMATIONALLY CONSTRAINED AMINO ACID COMPOUNDS HAVING AFFINITY FOR THE ALPHA2DELTA SUBUNIT OF A CALCIUM CHANNEL WARNER-LAMBERT COMPANY (US) 2001-03-14 EP disclosed
WO-1999061424-A1 CONFORMATIONALLY CONSTRAINED AMINO ACID COMPOUNDS HAVING AFFINITY FOR THE ALPHA2DELTA SUBUNIT OF A CALCIUM CHANNEL WARNER-LAMBERT COMPANY (US) 1999-12-02 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 (3 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-20050250800-A1 Conformationally constrained compounds as pharmaceutical agents PYGB, GABRA6, GABRA2 SLC6A1 45/4885SLC6A11 54/4885TSHR 1353/4885
US-20020019540-A1 Conformationally constrained compounds as pharmaceutical agents PYGB, SLC18A1, CDR2 SLC6A1 47/4885SLC6A11 110/4885TSHR 1870/4885
US-20030119858-A1 Conformationally constrained compounds as pharmaceutical agents PYGB, SLC18A1, CDR2 SLC6A1 47/4885SLC6A11 110/4885TSHR 1870/4885

“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.