SCHEMBL6736817

SCHEMBL6736817

O=C(c1cnc(-c2cc[n+]([O-])cc2)cn1)N1CCN(S(=O)(=O)c2nc3cc(Cl)ccc3[nH]2)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.40
ALDH1A1 P00352 2/20 0.40
F10 P00742 11/20 0.38
KLK1 P06870 1/20 0.37
HRH4 Q9H3N8 2/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HRH1 P35367 1/20 0.36
KMT2A Q03164 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
GAA P10253 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6736822 0.93 HRH4 (0.43) OPRM1ALDH1A1F10KLK1HRH4
SCHEMBL6729535 0.89 ALDH1A1 (0.46) OPRM1ALDH1A1F10KLK1KMT2A
SCHEMBL6727872 0.88 OPRM1 (0.38) OPRM1ALDH1A1F10KLK1HRH4
SCHEMBL6735798 0.88 OPRM1 (0.39) OPRM1ALDH1A1F10KLK1HRH4
SCHEMBL6731338 0.88 F10 (0.39) OPRM1ALDH1A1F10KLK1HRH4
SCHEMBL6726328 0.86 ALDH1A1 (0.42) OPRM1ALDH1A1F10KLK1HRH4
SCHEMBL6735030 0.86 F10 (0.52) OPRM1ALDH1A1F10KLK1HRH4
SCHEMBL6729391 0.86 F10 (0.42) OPRM1F10KLK1HRH4HRH3
SCHEMBL6728350 0.86 OPRM1 (0.40) OPRM1F10KLK1HRH4HRH3
SCHEMBL6731715 0.85 F10 (0.49) OPRM1F10KLK1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6747023-B1 INHIBITORS FOR ACTIVATED COAGULATION FACTOR X, COAGULATION SUPPRESSORS DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-08 US disclosed
US-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-29 US disclosed
EP-1104754-A1 NOVEL SULFONYL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2001-06-06 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 (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-20040082611-A1 Anticoagulants; brain disorders; respiratory system disorders; side effect reduction F2, CYC1, SULT2A1 OPRM1 910/4885ALDH1A1 1316/4885F10 19/4885

“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.