SCHEMBL854822

SCHEMBL854822

CC(C)Cc1cc(CN)no1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
ALDH1A1 P00352 7/20 0.41
RAB9A P51151 10/20 0.39
NPC1 O15118 8/20 0.39
SMN1; SMN2 Q16637 7/20 0.39
MAPT P10636 3/20 0.39
LMNA P02545 3/20 0.39
HPGD P15428 2/20 0.39
HTT P42858 2/20 0.39
TP53 P04637 1/20 0.38
HSD17B10 Q99714 1/20 0.38
MAPK1 P28482 1/20 0.38
TSHR P16473 1/20 0.37
KDM4E B2RXH2 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
SCHEMBL10120992 0.86 S1PR1 (0.45) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL3350172 0.85 MAPK1 (0.41) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL10154815 0.82 RAB9A (0.46) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL19364783 0.79 RAB9A (0.42) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL21350422 0.78 S1PR1 (0.40) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL2791170 0.76 ALDH1A1 (0.43) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL456435 0.74 PPARA (0.43) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL11928813 0.74 RAB9A (0.39) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL440363 0.74 SMN1; SMN2 (0.42) S1PR1S1PR3ALDH1A1RAB9ANPC1
SCHEMBL1162479 0.74 VHL (0.50) S1PR1S1PR3ALDH1A1RAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3210969-B1 KCNQ2-5 CHANNEL ACTIVATOR ONO PHARMACEUTICAL CO (JP) 2021-04-28 EP disclosed
US-10676438-B2 KCNQ2-5 channel activator ONO PHARMACEUTICAL CO., LTD. (JP) 2020-06-09 US disclosed
US-20200157050-A1 KCNQ2-5 CHANNEL ACTIVATOR ONO PHARMACEUTICAL CO., LTD. (JP) 2020-05-21 US disclosed
US-10570093-B2 2020-02-25 US disclosed
US-10196358-B2 KCNQ2-5 channel activator ONO PHARMACEUTICAL CO., LTD. (JP) 2019-02-05 US disclosed
US-20180346422-A1 KCNQ2-5 CHANNEL ACTIVATOR ONO PHARMACEUTICAL CO., LTD. (JP) 2018-12-06 US disclosed
US-20170334855-A1 KCNQ2-5 CHANNEL ACTIVATOR ONO PHARMACEUTICAL CO., LTD. (JP) 2017-11-23 US disclosed
US-9809544-B2 KCNQ2-5 channel activator ONO PHARMACEUTICAL CO., LTD. (JP) 2017-11-07 US disclosed
EP-3210969-A1 KCNQ2-5 CHANNEL ACTIVATOR ONO Pharmaceutical Co., Ltd. (JP) 2017-08-30 EP disclosed
US-20170217888-A1 KCNQ2-5 CHANNEL ACTIVATOR ONO PHARMACEUTICAL CO., LTD (JP) 2017-08-03 US disclosed
US-8563714-B2 Bridged spiro [2.4] heptane derivatives as ALX receptor and/or FPRL2 agonists ACTELION PHARMACEUTICALS LTD. (CH) 2013-10-22 US disclosed
EP-2432760-B1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2013-07-17 EP disclosed
US-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD. (CH) 2012-05-10 US disclosed
EP-2432760-A1 BRIDGED SPIRO [2.4]HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS Actelion Pharmaceuticals Ltd. (CH) 2012-03-28 EP disclosed
WO-2010134014-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2010-11-25 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 (8 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-20120115841-A1 BRIDGED SPIRO [2.4] HEPTANE DERIVATIVES AS ALX RECEPTOR AND/OR FPRL2 AGONISTS FPR1, FPR2, FPR3 S1PR1 123/4885S1PR3 158/4885ALDH1A1 1293/4885
US-10570093-B2 KCNQ5, KCNQ2, KCNQ1 S1PR1 2554/4885S1PR3 2846/4885ALDH1A1 818/4885
US-20170334855-A1 KCNQ2-5 CHANNEL ACTIVATOR KCNQ5, KCNQ2, KCNQ1 S1PR1 2746/4885S1PR3 3039/4885ALDH1A1 2411/4885
US-20170217888-A1 KCNQ2-5 CHANNEL ACTIVATOR KCNQ5, KCNQ2, KCNQ1 S1PR1 2746/4885S1PR3 3039/4885ALDH1A1 2411/4885
US-20200157050-A1 KCNQ2-5 CHANNEL ACTIVATOR KCNQ5, KCNQ2, KCNQ1 S1PR1 2746/4885S1PR3 3039/4885ALDH1A1 2411/4885
US-20180346422-A1 KCNQ2-5 CHANNEL ACTIVATOR KCNQ5, KCNQ2, KCNQ1 S1PR1 2746/4885S1PR3 3039/4885ALDH1A1 2411/4885
US-10676438-B2 KCNQ2-5 channel activator KCNQ5, KCNQ2, KCNQ1 S1PR1 2746/4885S1PR3 3039/4885ALDH1A1 2411/4885
US-10196358-B2 KCNQ2-5 channel activator KCNQ5, KCNQ2, KCNQ1 S1PR1 2746/4885S1PR3 3039/4885ALDH1A1 2411/4885

“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.