SCHEMBL5387013

SCHEMBL5387013

OCCC1CCCNCC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GBA1 P04062 3/20 0.37
ESR2 Q92731 2/20 0.37
HRH3 Q9Y5N1 2/20 0.34
ITGB3 P05106 2/20 0.33
ITGA2B P08514 2/20 0.33
SLC6A1 P30531 2/20 0.33
GABRA5 P31644 2/20 0.33
GABRB2 P47870 2/20 0.33
SLC6A12 P48065 2/20 0.33
SLC6A11 P48066 2/20 0.33
SLC6A13 Q9NSD5 2/20 0.33
KMT2A Q03164 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRR1 P24046 1/20 0.33
GABRA4 P48169 1/20 0.33
TPSAB1 Q15661 2/20 0.33
TPSD1 Q9BZJ3 2/20 0.33
TPSG1 Q9NRR2 2/20 0.33
CPN1 P15169 2/20 0.33
CPB2 Q96IY4 2/20 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
SCHEMBL28281 0.91
SCHEMBL28134700 0.88
Hydrochloric Acid SCHEMBL1652678 0.88 GBA1 (0.40) GBA1ESR2HRH3ITGB3ITGA2B
SCHEMBL28134699 0.86
SCHEMBL27518152 0.85 SLC6A1 (0.35) GBA1SLC6A1GABRA5GABRB2SLC6A12
SCHEMBL13950272 0.83
SCHEMBL2537127 0.83
SCHEMBL5509027 0.82
SCHEMBL13285747 0.82
SCHEMBL967366 0.82

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-7164024-B2 Muscarinic acetylcholine receptor antagonist; Parkinson's disease; dystonia; analgesics; irritable bowel syndrome BANYU PHARMACEUTICAL CO., LTD. (JP) 2007-01-16 US disclosed
US-20040147506-A1 Benzimidazolone derivatives BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-07-29 US disclosed
EP-1386920-A1 BENZIMIDAZOLONE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2004-02-04 EP disclosed
US-4345071-A AZIDOALKYL-HETEROCYCLIC AMIDINE INTERMEDIATES LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 1982-08-17 US disclosed
US-4229443-A Derivatives of penicillanic acid LEO PHARMACEUTICAL PRODUCTS, LTD. A/S (DK) 1980-10-21 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 (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-20040147506-A1 Benzimidazolone derivatives HRH2, CCKAR, HRH4 GBA1 238/4885ESR2 3395/4885HRH3 7/4885

“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.