SCHEMBL1791112

SCHEMBL1791112

CC1(C)[C@H]2CC[C@@H](CC(=O)Nn3nc(-c4ccccc4)c4ccsc4c3=O)[C@H]1C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA3 P0DMS8 1/20 0.41
▸ ADORA1 P30542 1/20 0.41
▸ OGFRL1 Q5TC84 5/20 0.38
▸ OPRM1 P35372 6/20 0.38
▸ OPRK1 P41145 6/20 0.38
▸ OPRD1 P41143 5/20 0.38
▸ CNR2 P34972 2/20 0.36
▸ CNR1 P21554 1/20 0.36
▸ HDAC6 Q9UBN7 2/20 0.35
▸ MCHR1 Q99705 1/20 0.34
▸ OPRL1 P41146 2/20 0.33
▸ FEN1 P39748 1/20 0.33
▸ S1PR1 P21453 1/20 0.33
▸ MEN1 O00255 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ EPHX2 P34913 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.32

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
SCHEMBL1791109 1.00 ADORA3 (0.41) ADORA3ADORA1OGFRL1OPRM1OPRK1
SCHEMBL1787041 0.81 RAB9A (0.45) CNR2CNR1MEN1KMT2AALDH1A1
SCHEMBL1787044 0.81 RAB9A (0.45) CNR2CNR1MEN1KMT2AALDH1A1
SCHEMBL30796416 0.81 RAB9A (0.45) CNR2CNR1MEN1KMT2AALDH1A1
SCHEMBL1788439 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1POLB
SCHEMBL1788438 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1POLB
SCHEMBL30796361 0.80 MEN1 (0.44) MEN1KMT2AALDH1A1POLB
SCHEMBL1787326 0.77 P2RX7 (0.44) ADORA3ADORA1MEN1KMT2AKDM4E
SCHEMBL16156008 0.74 OGFRL1 (0.42) OGFRL1OPRM1OPRK1OPRD1CNR2
SCHEMBL16156007 0.74 OGFRL1 (0.42) OGFRL1OPRM1OPRK1OPRD1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — US claimed
US-8629143-B2 Potassium channel modulators ABBVIE INC. (US) 2014-01-14 — — US disclosed
US-20110124642-A1 POTASSIUM CHANNEL MODULATORS ABBOTT LABORATORIES (US) 2011-05-26 — — 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 (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-20110124642-A1 POTASSIUM CHANNEL MODULATORS KCNQ1, KCNQ2, KCNQ3 ADORA3 621/4885ADORA1 403/4885OGFRL1 1217/4885

“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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