SCHEMBL12023613

SCHEMBL12023613

CCOC(=O)c1nn(-c2ccc(C)c(C)c2)c(=O)c2c(N)scc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 12/20 1.00
▸ ALOX12 P18054 3/20 1.00
▸ APAF1 O14727 1/20 1.00
▸ CACNA1B Q00975 1/20 1.00
▸ APBA1 Q02410 1/20 1.00
▸ ADORA1 P30542 12/20 0.80
▸ KDM4E B2RXH2 4/20 0.79
▸ ALDH1A1 P00352 4/20 0.79
▸ APP P05067 5/20 0.76
▸ CASP1 P29466 2/20 0.76
▸ MEN1 O00255 1/20 0.76
▸ KMT2A Q03164 1/20 0.76
▸ L3MBTL1 Q9Y468 1/20 0.76
▸ ALOX15 P16050 2/20 0.76
▸ HSD17B10 Q99714 2/20 0.76
▸ MAPK1 P28482 1/20 0.75
▸ CASP6 P55212 1/20 0.75

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
SCHEMBL17190780 0.90 MAPT (0.81) MAPTALOX12APAF1CACNA1BAPBA1
SCHEMBL1491879 0.89 ADORA1 (1.00) MAPTALOX12APAF1CACNA1BAPBA1
SCHEMBL14660061 0.89 MAPT (0.88) MAPTALOX12APAF1CACNA1BAPBA1
SCHEMBL16379167 0.89 MAPT (1.00) MAPTALOX12APAF1CACNA1BAPBA1
SCHEMBL14659972 0.88 ADORA1 (1.00) MAPTALOX12APAF1CACNA1BAPBA1
SCHEMBL14659429 0.87 ADORA1 (0.84) MAPTALOX12APAF1CACNA1BAPBA1
SCHEMBL16379138 0.87 MAPT (1.00) MAPTALOX12APAF1CACNA1BAPBA1
SCHEMBL1491884 0.87 MAPT (1.00) MAPTALOX12APAF1CACNA1BAPBA1
SCHEMBL1491896 0.87 MAPT (0.84) MAPTALOX12APAF1CACNA1BAPBA1
SCHEMBL1491918 0.87 MAPT (1.00) MAPTALOX12APAF1CACNA1BAPBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170020858-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC (US) 2017-01-26 — — US disclosed
US-20150299225-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2015-10-22 — — US disclosed
US-8916550-B2 Compounds for modulating TRPV3 function HYDRA BIOSCIENCES, INC. (US) 2014-12-23 — — US disclosed
EP-2392328-A1 Compounds for modulating TRPV3 Function Hydra Biosciences, Inc. (US) 2011-12-07 — — EP disclosed
WO-2008060626-A9 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES INC (US) 2008-07-31 — — WO disclosed
WO-2008060626-A2 COMPOUNDS FOR MODULATING TRPV3 FUNCTION HYDRA BIOSCIENCES, INC. (US) 2008-05-22 — — 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-20170020858-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION TRPV3, TRPV1, TRPV4 MAPT 1751/4885ALOX12 736/4885APAF1 1879/4885
US-20150299225-A1 COMPOUNDS FOR MODULATING TRPV3 FUNCTION TRPV3, TRPV1, TRPV4 MAPT 1751/4885ALOX12 736/4885APAF1 1879/4885

“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.

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