SCHEMBL5673268

SCHEMBL5673268

COC(=O)C1(c2ccc(N)c(F)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
AKR1C3 P42330 4/20 0.40
AKR1C2 P52895 4/20 0.40
AKR1C1 Q04828 3/20 0.40
AKR1B10 O60218 1/20 0.40
AKR1C4 P17516 1/20 0.40
APP P05067 7/20 0.39
CYP2C19 P33261 6/20 0.39
CYP2C9 P11712 5/20 0.39
CYP3A4 P08684 5/20 0.39
CYP2D6 P10635 3/20 0.39
CTSL P07711 1/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PSEN1 P49768 1/20 0.37
PSEN2 P49810 1/20 0.37
APH1B Q8WW43 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
SCHEMBL1464590 0.83 LMNA (0.39) HDAC1LMNACA12CA1CA2
SCHEMBL15897520 0.83 AKR1C3 (0.41) HDAC1AKR1C3AKR1C2AKR1C1AKR1B10
SCHEMBL5676272 0.82 LMNA (0.51) HDAC1CYP3A4LMNAMEN1KMT2A
SCHEMBL12827123 0.82 LMNA (0.38) HDAC1LMNAF10MEN1KMT2A
SCHEMBL5360898 0.81 AKR1C3 (0.38) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL24821862 0.81 ALOX5 (0.34) AKR1C3AKR1C2AKR1C1AKR1B10AKR1C4
SCHEMBL26088245 0.81 LMNA (0.38) LMNAF10MEN1KMT2AL3MBTL1
SCHEMBL1464752 0.80 ALDH1A1 (0.45) LMNACA12CA1CA2CA7
SCHEMBL20703426 0.79 OPRM1 (0.50)
SCHEMBL19753115 0.79 LMNA (0.51) HDAC1CYP3A4LMNACA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8735426-B2 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2014-05-27 US disclosed
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
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
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
CN-100537528-C 4-(methyl sulfonyl amino) phenyl analogues as vanilloid antagonist showing excellent analgesic activity and the pharmaceutical compositions comprising the same GRUENENTHAL GMBH (DE) 2009-09-09 CN disclosed
US-20080275044-A1 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions GRUENENTHAL GMBH (DE) 2008-11-06 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
CN-1852891-A 4- (methylsulfonylamino) phenyl analogues as vanilloid antagonists with high analgesic activity and pharmaceutical compositions containing them GRUENENTHAL GMBH (DE) 2006-10-25 CN 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 (2 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 HDAC1 3180/4885HDAC6 2707/4885AKR1C3 2411/4885
US-20080275044-A1 Vanilloid receptor ligands, pharmaceutical compositions containing them, process for making them and use thereof for treating pain and other conditions TRPV1, TRPV2, TRPV3 HDAC1 2943/4885HDAC6 1168/4885AKR1C3 1474/4885

“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.