SCHEMBL1600173

SCHEMBL1600173

CC1CC(C#N)(c2cccc(S)c2)CCO1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.38
OPRM1 P35372 3/20 0.33
SLC6A4 P31645 2/20 0.33
SLC6A3 Q01959 2/20 0.33
PIK3CD O00329 2/20 0.32
LRRK2 Q5S007 1/20 0.31
OPRL1 P41146 1/20 0.30
OPRD1 P41143 1/20 0.30

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
SCHEMBL7802560 0.84 KMT2A (0.35) KMT2AOPRM1SLC6A4SLC6A3PIK3CD
SCHEMBL12672112 0.84 SLC6A4 (0.37) KMT2AOPRM1SLC6A4SLC6A3PIK3CD
SCHEMBL7814915 0.84 KMT2A (0.35) KMT2AOPRM1SLC6A4SLC6A3PIK3CD
SCHEMBL332828 0.84 SLC6A4 (0.37) KMT2AOPRM1SLC6A4SLC6A3PIK3CD
SCHEMBL7802557 0.84 KMT2A (0.35) KMT2AOPRM1SLC6A4SLC6A3PIK3CD
SCHEMBL1598590 0.80 KMT2A (0.41) KMT2AOPRM1PIK3CDOPRL1OPRD1
SCHEMBL7809036 0.77 KMT2A (0.31) KMT2A
SCHEMBL9098611 0.75 ALOX5 (0.36)
SCHEMBL12638709 0.74
SCHEMBL332497 0.70 ALOX5 (0.32)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-05-12 US disclosed
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2011-05-12 US disclosed
US-7919621-B2 Tricyclic inhibitors of 5-lipoxygenase AMIRA PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
US-7919621-B2 Tricyclic inhibitors of 5-lipoxygenase AMIRA PHARMACEUTICALS, INC. (US) 2011-04-05 US disclosed
EP-1978966-A2 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE Amira Pharmaceuticals, Inc. (US) 2008-10-15 EP disclosed
WO-2007087250-A2 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-08-02 WO disclosed
WO-2007087250-A2 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-08-02 WO disclosed
US-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-07-26 US disclosed
US-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE AMIRA PHARMACEUTICALS, INC. (US) 2007-07-26 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 (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-20070173508-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B KMT2A 3956/4885OPRM1 1409/4885SLC6A4 2829/4885
US-20110112106-A1 TRICYCLIC INHIBITORS OF 5-LIPOXYGENASE ALOX5, ALOX15, ALOX15B KMT2A 3956/4885OPRM1 1409/4885SLC6A4 2829/4885

“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.