SCHEMBL5673180

SCHEMBL5673180

Cc1ccc(C(=CCN)c2ccc(C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
PKM P14618 2/20 0.41
HTT P42858 2/20 0.41
ATM Q13315 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
HPGD P15428 2/20 0.41
KMT2A Q03164 2/20 0.41
NLRP1 Q9C000 1/20 0.41
GAA P10253 1/20 0.41
MEN1 O00255 1/20 0.41
NTSR1 P30989 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
HDAC1 Q13547 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39

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
SCHEMBL6419890 0.79 ALDH1A1 (0.43) ALDH1A1LMNAPKMHTTATM
SCHEMBL5674623 0.77 CES2 (0.41) SMN1; SMN2CES2CES1NPC1RAB9A
SCHEMBL7746205 0.77 ALDH1A1 (0.41) ALDH1A1LMNAPKMHTTATM
SCHEMBL8523527 0.77 ALDH1A1 (0.41) ALDH1A1LMNAPKMHTTATM
SCHEMBL9177747 0.77 KDM4E (0.55) ALDH1A1LMNANPSR1SMN1; SMN2HPGD
SCHEMBL1286537 0.76 CHRNB2 (0.47) HDAC1
SCHEMBL5146808 0.74 ALDH1A1 (0.39) ALDH1A1LMNAPKMHTTATM
SCHEMBL8398701 0.74 ALDH1A1 (0.52) ALDH1A1LMNAPKMHTTATM
SCHEMBL516740 0.73 ALDH1A1 (0.46) ALDH1A1LMNAPKMHTTATM
SCHEMBL4631618 0.72 NPC1 (0.50) ALDH1A1LMNASMN1; SMN2HPGDKMT2A

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-8642657-B2 4-(methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same GRUENENTHAL GMBH (DE) 2014-02-04 US disclosed
EP-1658265-A4 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRUENENTHAL GMBH (DE) 2006-11-29 EP disclosed
US-20060258884-A1 4-(Methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same GRUENENTHAL GMBH (DE) 2006-11-16 US disclosed
EP-1658265-A1 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME Grünenthal GmbH (DE) 2006-05-24 EP disclosed
WO-2005003084-A1 4-(METHYL SULFONYL AMINO) PHENYL ANALOGUES AS VANILLOID ANTAGONIST SHOWING EXCELLENT ANALGESIC ACTIVITY AND THE PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME GRUNENTHAL GMBH (DE) 2005-01-13 WO 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-20060258884-A1 4-(Methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same TRPV1, TRPA1, GPR68 ALDH1A1 2294/4885LMNA 3800/4885PKM 2087/4885

“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.