SCHEMBL17595041

SCHEMBL17595041

O=C1CCC(NC(=O)c2ccc3ccccc3n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC8 Q9BY41 1/20 0.55
ALDH1A1 P00352 5/20 0.54
GAA P10253 2/20 0.54
MAPT P10636 2/20 0.54
RAB9A P51151 4/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
NFKB1 P19838 2/20 0.51
NFKB2 Q00653 2/20 0.51
RELA Q04206 2/20 0.51
HTR7 P34969 3/20 0.50
KDM4E B2RXH2 3/20 0.50
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.50
TDP1 Q9NUW8 1/20 0.50
HPGD P15428 3/20 0.49
KDM4C Q9H3R0 1/20 0.49
HTT P42858 1/20 0.48
MGAM O43451 1/20 0.47
NPC1 O15118 3/20 0.47
TP53 P04637 3/20 0.47

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
SCHEMBL3457004 0.86 HDAC8 (0.58) HDAC8ALDH1A1GAAMAPTRAB9A
SCHEMBL22449386 0.86 HDAC8 (0.58) HDAC8ALDH1A1GAAMAPTRAB9A
SCHEMBL6083899 0.83 HDAC8 (0.55) HDAC8ALDH1A1GAAMAPTRAB9A
SCHEMBL19701288 0.83 ALDH1A1 (0.57) HDAC8ALDH1A1GAAMAPTRAB9A
SCHEMBL21489934 0.83 ALDH1A1 (0.57) HDAC8ALDH1A1GAAMAPTRAB9A
SCHEMBL62928 0.83 HDAC8 (0.55) HDAC8ALDH1A1GAAMAPTRAB9A
SCHEMBL6083909 0.83 HDAC8 (0.55) HDAC8ALDH1A1GAAMAPTRAB9A
SCHEMBL28800749 0.83 RAB9A (0.49) HDAC8ALDH1A1GAAMAPTRAB9A
SCHEMBL27888461 0.81 KDM4C (0.51) HDAC8ALDH1A1GAAMAPTRAB9A
SCHEMBL21489764 0.79 SMYD3 (0.64) HDAC8ALDH1A1GAAMAPTHTR7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3191483-B1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF NORTH & SOUTH BROTHER PHARMACY INVESTMENT CO LTD (CN) 2020-06-10 EP disclosed
US-9951010-B2 Compounds as CRTH2 antagonist and uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-04-24 US disclosed
US-20170267634-A1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-09-21 US disclosed
EP-3191483-A1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF Sunshine Lake Pharma Co., Ltd. (CN) 2017-07-19 EP disclosed
WO-2016037591-A1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-03-17 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 (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-20170267634-A1 COMPOUNDS AS CRTH2 ANTAGONIST AND USES THEREOF HRH2, PTGDR2, HRH1 HDAC8 1456/4885ALDH1A1 1226/4885GAA 2539/4885

“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.