SCHEMBL4870601

SCHEMBL4870601

COC(=O)C1CCC(=S)N1Cc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.59
BACE1 P56817 1/20 0.48
FKBP1A P62942 1/20 0.47
ALDH1A1 P00352 3/20 0.47
TDP1 Q9NUW8 1/20 0.47
TRPM8 Q7Z2W7 1/20 0.43
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MTNR1A P48039 3/20 0.43
MTNR1B P49286 1/20 0.43
P2RX7 Q99572 1/20 0.42
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL24434796 0.86 KMT2A (0.57) KMT2AFKBP1AALDH1A1TDP1CYP3A4
SCHEMBL927807 0.86 KMT2A (0.57) KMT2AFKBP1AALDH1A1TDP1CYP3A4
SCHEMBL2583749 0.86 KMT2A (0.57) KMT2AFKBP1AALDH1A1TDP1CYP3A4
SCHEMBL7021591 0.86 KMT2A (0.44) KMT2ABACE1ALDH1A1TDP1MTNR1A
SCHEMBL28065530 0.86 KMT2A (0.44) KMT2ABACE1ALDH1A1TDP1MTNR1A
SCHEMBL9095636 0.84 GRM6 (0.43) KMT2ACYP3A4MTNR1AMTNR1BP2RX7
SCHEMBL25408653 0.84 GRM6 (0.43) KMT2ACYP3A4MTNR1AMTNR1BP2RX7
SCHEMBL5741011 0.83 KMT2A (0.54) KMT2AFKBP1AALDH1A1CYP3A4P2RX7
SCHEMBL22452838 0.81 CAPN1 (0.58) KMT2AFKBP1AALDH1A1TDP1P2RX7
SCHEMBL28681218 0.81 CAPN1 (0.58) KMT2AFKBP1AALDH1A1TDP1P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2008-06-26 US disclosed
US-7348343-B2 Amides useful for treating pain ABBOTT LABORATORIES INC. (US) 2008-03-25 US disclosed
US-20070010557-A1 Novel amides useful for treating pain ABBVIE INC. 2007-01-11 US disclosed
US-7129235-B2 Amides useful for treating pain ABBOTT LABORATORIES (US) 2006-10-31 US disclosed
EP-1646621-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN Abbott Laboratories (US) 2006-04-19 EP disclosed
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I ABBVIE INC. 2005-04-14 US disclosed
WO-2005007642-A2 NOVEL AZAHETEROCYCLIC AMIDES USEFUL FOR TREATING PAIN ABBOTT LABORATORIES (US) 2005-01-27 WO disclosed
US-20050009841-A1 Novel amides useful for treating pain ABBOTT LABORATORIES 2005-01-13 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 (4 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-20050009841-A1 Novel amides useful for treating pain OPRL1, OPRK1, FAAH2 KMT2A 2878/4885BACE1 3863/4885FKBP1A 1483/4885
US-20050080095-A1 administering a therapeuitcally effective amount of 3'-(trifluoromethyl)-N-{4-[(trifluoromethyl)sulfonyl]phenyl}-3,6-dihydro-2H-1,2'-bipyridine-4-carboxamide; antagonists of vanilloid receptor subtype I TRPV1, OPRL1, TRPV6 KMT2A 2331/4885BACE1 3226/4885FKBP1A 3255/4885
US-20070010557-A1 Novel amides useful for treating pain OPRL1, PDE6B, PDE6G KMT2A 1665/4885BACE1 3734/4885FKBP1A 2690/4885
US-20080153809-A1 NOVEL AMIDES USEFUL FOR TREATING PAIN OPRL1, OPRK1, OPRD1 KMT2A 2575/4885BACE1 4074/4885FKBP1A 1895/4885

“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.