SCHEMBL6360963

SCHEMBL6360963

COC(=O)C1(C(=O)OC)CNCC12CCCCC2

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPT P10636 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
MEN1 O00255 1/20 0.34
CYP3A4 P08684 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 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
Hydrochloric Acid SCHEMBL6360958 1.00 NPSR1 (0.40) NPSR1ALDH1A1L3MBTL1MAPTCYP4F2
Hydrochloric Acid SCHEMBL6360965 0.91 NPSR1 (0.37) NPSR1ALDH1A1L3MBTL1MAPTCYP4F2
SCHEMBL1435555 0.74 NPSR1 (0.47) NPSR1ALDH1A1L3MBTL1MAPTCYP4F2
SCHEMBL1434977 0.70 NPSR1 (0.42) NPSR1ALDH1A1L3MBTL1MAPTCYP4F2
SCHEMBL1434486 0.69 NPSR1 (0.42) NPSR1ALDH1A1L3MBTL1MAPTCYP4F2
SCHEMBL6143483 0.67 NPSR1 (0.46) NPSR1ALDH1A1L3MBTL1MAPTCYP4F2
SCHEMBL1604408 0.67 NPSR1 (0.48) NPSR1ALDH1A1L3MBTL1MAPTCYP4F2
SCHEMBL20740435 0.67 NPSR1 (0.48) NPSR1ALDH1A1L3MBTL1MAPTCYP4F2
Hydrochloric Acid SCHEMBL21296019 0.67 NPSR1 (0.34) NPSR1LMNA
Hydrochloric Acid SCHEMBL2237016 0.67 NPSR1 (0.34) NPSR1MEN1KMT2ALMNA

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 13 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
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 claimed
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 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 NPSR1 36/4885ALDH1A1 976/4885L3MBTL1 3889/4885
US-20020019540-A1 Conformationally constrained compounds as pharmaceutical agents PYGB, SLC18A1, CDR2 NPSR1 39/4885ALDH1A1 390/4885L3MBTL1 3119/4885
US-20030119858-A1 Conformationally constrained compounds as pharmaceutical agents PYGB, SLC18A1, CDR2 NPSR1 39/4885ALDH1A1 390/4885L3MBTL1 3119/4885

“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.