SCHEMBL6764723

SCHEMBL6764723

CCCC(N)CCC.CCCCC(N)CCC

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.52
OPRM1 P35372 1/20 0.46
S1PR2 O95136 5/20 0.45
S1PR1 P21453 5/20 0.45
S1PR3 Q99500 5/20 0.45
S1PR4 O95977 4/20 0.45
PLA2G1B P04054 1/20 0.44
PLA2G2A P14555 1/20 0.44
TDP1 Q9NUW8 1/20 0.42
DNM1 Q05193 2/20 0.41
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
SPHK1 Q9NYA1 1/20 0.37

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
SCHEMBL13971145 1.00
SCHEMBL345042 1.00
Hydrochloric Acid SCHEMBL15577381 0.97 ALDH1A1 (0.50) ALDH1A1OPRM1S1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL6264548 0.97 ALDH1A1 (0.50) ALDH1A1OPRM1S1PR2S1PR1S1PR3
Bromide SCHEMBL27483388 0.97 ALDH1A1 (0.50) ALDH1A1OPRM1S1PR2S1PR1S1PR3
SCHEMBL272998 0.94 OPRM1 (0.50) ALDH1A1OPRM1S1PR2S1PR1S1PR3
SCHEMBL1298154 0.91 OPRM1 (0.57) ALDH1A1OPRM1S1PR2S1PR1S1PR3
Fluoride SCHEMBL1995827 0.90 OPRM1 (0.48) ALDH1A1OPRM1S1PR2S1PR1S1PR3
Bromide SCHEMBL1993996 0.90 OPRM1 (0.48) ALDH1A1OPRM1S1PR2S1PR1S1PR3
Hydrochloric Acid SCHEMBL1997517 0.90 OPRM1 (0.48) ALDH1A1OPRM1S1PR2S1PR1S1PR3

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-20040167080-A1 Glucopyranoside benzothiophenes DODGE JEFFREY A (US) 2004-08-26 US disclosed
US-6723739-B1 INHIBITING POSTMENOPAUSAL OSTEOPOROSIS ELI LILLY AND COMPANY 2004-04-20 US disclosed
EP-0683170-B1 Glucopyranoside benzothiophenes LILLY CO ELI (US) 1999-09-22 EP disclosed
US-5567820-A THERAPY FOR BONE DISEASES ELI LILLY AND COMPANY (US) 1996-10-22 US disclosed
EP-0683170-A1 Glucopyranoside benzothiophenes ELI LILLY AND COMPANY (US) 1995-11-22 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 (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-20040167080-A1 Glucopyranoside benzothiophenes UGGT1, SLC5A1, B4GALT1 ALDH1A1 378/4885OPRM1 3420/4885S1PR2 4254/4885

“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.