SCHEMBL844816

SCHEMBL844816

O=C(c1cccs1)N1CCNCC1

nearest known ligand 0.72

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 3/20 0.72
ALDH1A1 P00352 5/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
HTT P42858 1/20 0.56
KMT2A Q03164 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
CYP2C19 P33261 1/20 0.56
LMNA P02545 1/20 0.56
MAPT P10636 1/20 0.56
ALOX12 P18054 1/20 0.56
SIGMAR1 Q99720 1/20 0.54

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 SCHEMBL10934170 0.98 GAA (0.70) GAAALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL14543348 0.94 GAA (0.73) GAAALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL11293119 0.87 GAA (0.85) GAAALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL2666138 0.84 GAA (1.00) GAAALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL1567500 0.83 CES2 (0.53) GAAALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL14134416 0.82 GAA (0.96) GAAALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL10280045 0.81 GAA (0.74) GAAALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL30250490 0.80 ALDH1A1 (0.55) GAAALDH1A1SMN1; SMN2KMT2ALMNA
SCHEMBL642316 0.79 GAA (0.72) GAAALDH1A1SMN1; SMN2HTTKMT2A
SCHEMBL3700972 0.79 GAA (0.72) GAAALDH1A1SMN1; SMN2HTTKMT2A

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 212 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240417385-A1 COMPOUND AND USE THEREOF FOR TREATING EMOTIONAL BEHAVIORAL DISORDERS NEUROVENTI INC. (KR) 2024-12-19 US claimed
EP-4400494-A1 NOVEL COMPOUND AND USE THEREOF FOR TREATING EMOTIONAL BEHAVIORAL DISORDERS Neuroventi Inc. (KR) 2024-07-17 EP claimed
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. 2023-01-12 US claimed
EP-4058145-A1 HETEROCYCLIC TRPML1 AGONISTS Libra Therapeutics, Inc. (US) 2022-09-21 EP claimed
WO-2021094974-A1 HETEROCYCLIC TRPML1 AGONISTS LIBRA THERAPEUTICS, INC. (US) 2021-05-20 WO claimed
EP-3821947-A1 HETEROCYCLIC TRPML1 AGONISTS Libra Therapeutics, Inc. (US) 2021-05-19 EP claimed
EP-1071680-B1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS ENCYSIVE PHARMACEUTICALS INC (US) 2008-07-23 EP claimed
EP-1071680-A4 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORP (US) 2003-03-05 EP claimed
US-6194448-B1 ANTIINFLAMMATORY AGENTS; ASTHMA; RHEUMATIC DISORDERS TEXAS BIOTECHNOLOGY CORPORATION 2001-02-27 US claimed
EP-1071680-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 2001-01-31 EP claimed
WO-1999052898-A1 N,N-DISUBSTITUTED AMIDES THAT INHIBIT THE BINDING OF INTEGRINS TO THEIR RECEPTORS TEXAS BIOTECHNOLOGY CORPORATION (US) 1999-10-21 WO claimed
EP-0083315-B1 PYRIDYL-N-OXIDES, PROCESSES FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM CIBA-GEIGY AG (CH) 1987-07-29 EP claimed
US-4497808-A N-Oxide compounds useful in the treatment of cardiovascular ailments CIBA-GEIGY CORPORATION (US) 1985-02-05 US claimed
EP-0111455-A2 Unsaturated lactones CIBA-GEIGY AG (CH) 1984-06-20 EP claimed
EP-0083315-A2 Pyridyl-N-oxides, processes for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1983-07-06 EP claimed
CN-117820287-B Magnolol derivative, and preparation method and application thereof CHINA PHARMACEUTICAL UNIVERSITY (CN) 2026-05-26 CN disclosed
CN-117800942-B Thiophene piperazine amide derivative, composition and application thereof 徐州医科大学 2025-04-25 CN disclosed
EP-0111453-A1 Amide derivatives CIBA-GEIGY AG (CH) 1984-06-20 EP disclosed
EP-0111455-A2 Unsaturated lactones CIBA-GEIGY AG (CH) 1984-06-20 EP disclosed
EP-0083315-A2 Pyridyl-N-oxides, processes for their preparation and pharmaceutical compositions containing them CIBA-GEIGY AG (CH) 1983-07-06 EP 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-20240417385-A1 COMPOUND AND USE THEREOF FOR TREATING EMOTIONAL BEHAVIORAL DISORDERS ADCYAP1R1, GRIA1, GRIA4 GAA 19/4885ALDH1A1 751/4885SMN1; SMN2 3284/4885
US-20230010299-A1 HETEROCYCLIC TRPML1 AGONISTS TRPM7, TRPM2, TRPM5 GAA 1526/4885ALDH1A1 2206/4885SMN1; SMN2 1003/4885

“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.