SCHEMBL8043757

SCHEMBL8043757

O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1)N1CCCC1c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OXTR P30559 2/20 0.49
AVPR1A P37288 2/20 0.49
RIPK1 Q13546 1/20 0.47
NPSR1 Q6W5P4 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
ALOX5 P09917 1/20 0.45
MAPT P10636 2/20 0.45
HTT P42858 3/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 2/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPK1 P28482 1/20 0.45
USP2 O75604 1/20 0.44
POLB P06746 1/20 0.44
RAB9A P51151 1/20 0.44
UTS2R Q9UKP6 1/20 0.43
PPID Q08752 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43

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
SCHEMBL1630616 0.90 CRHBP (0.53) OXTRAVPR1ARIPK1NPSR1PKM
SCHEMBL8060525 0.89 CRHBP (0.55) OXTRAVPR1ANPSR1PKMHTT
SCHEMBL1629046 0.88 OXTR (0.60) OXTRAVPR1ANPSR1PKMALOX5
SCHEMBL1629076 0.86 LMNA (0.50) OXTRAVPR1ANPSR1HTTKMT2A
SCHEMBL1630642 0.86 CRHBP (0.51) OXTRAVPR1ANPSR1MAPTHTT
SCHEMBL1630968 0.86 OXTR (0.53) OXTRAVPR1ANPSR1MAPTHTT
SCHEMBL3422507 0.86 CRHBP (0.51) OXTRAVPR1ANPSR1MAPTHTT
SCHEMBL1629343 0.84 LMNA (0.44) OXTRAVPR1ARIPK1NPSR1HTT
SCHEMBL1632095 0.84 KMT2A (0.61) OXTRAVPR1ANPSR1PKMMAPT
SCHEMBL1629236 0.84 CRHBP (0.56) OXTRAVPR1ANPSR1PKMMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7932269-B2 Sulfonamides as orexin antagonists HOFFMANN-LA ROCHE INC. (US) 2011-04-26 US disclosed
US-20090186920-A1 SULFONAMIDES AS OREXIN ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-07-23 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-20090186920-A1 SULFONAMIDES AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPSR1 OXTR 8/4885AVPR1A 48/4885RIPK1 2266/4885

“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.