SCHEMBL1948729

SCHEMBL1948729

CC1CN(C(=O)OC(C)(C)C)C1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.40
NR1H2 P55055 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 1/20 0.39
CHRM3 P20309 1/20 0.39
USP2 O75604 1/20 0.37
HPGD P15428 1/20 0.35
BTK Q06187 1/20 0.35
PREP P48147 1/20 0.35

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
SCHEMBL17986813 1.00 HSD17B10 (0.46) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL18669621 1.00 HSD17B10 (0.46) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL23925570 1.00 HSD17B10 (0.46) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL29984534 1.00 HSD17B10 (0.46) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL15116885 0.89 HSD17B10 (0.40) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL30591306 0.89 HSD17B10 (0.40) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL18094053 0.89 HSD17B10 (0.40) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL18611180 0.89 HSD17B10 (0.40) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL30505549 0.88 HSD17B10 (0.40) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1
SCHEMBL25286674 0.88 HSD17B10 (0.40) HSD17B10SMN1; SMN2NR1H2CHRM2CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118215662-A Modulators of CCR6 receptors 爱杜西亚药品有限公司 2024-06-18 CN disclosed
US-20240150367-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2024-05-09 US disclosed
US-20230023377-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2023-01-26 US disclosed
EP-3858349-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME Japan Tobacco Inc. (JP) 2021-08-04 EP disclosed
EP-3181570-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME Japan Tobacco Inc. (JP) 2017-06-21 EP disclosed
EP-2460806-B1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME JAPAN TOBACCO INC (JP) 2017-01-04 EP disclosed
CN-102510865-B Nitrogen-containing spiro compound and pharmaceutical use thereof JAPAN TOBACCO INC 2015-04-15 CN disclosed
US-20140187534-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2014-07-03 US disclosed
US-8609647-B2 Nitrogen-containing spirocyclic compounds and pharmaceutical uses thereof JAPAN TOBACCO INC. (JP) 2013-12-17 US disclosed
EP-2460806-A1 NITROGEN-CONTAINING SPIRO-RING COMPOUND AND MEDICINAL USE OF SAME Japan Tobacco, Inc. (JP) 2012-06-06 EP disclosed
US-20110136778-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF JAPAN TOBACCO INC. (JP) 2011-06-09 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 (4 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-20110136778-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF REN, PKD1, NR3C2 HSD17B10 2300/4885SMN1; SMN2 1988/4885NR1H2 339/4885
US-20230023377-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF REN, PKD1, NPR1 HSD17B10 2597/4885SMN1; SMN2 2057/4885NR1H2 850/4885
US-20140187534-A1 NITROGEN-CONTAINING SPIROCYCLIC COMPOUNDS AND PHARMACEUTICAL USES THEREOF REN, PKD1, NR3C2 HSD17B10 2300/4885SMN1; SMN2 1988/4885NR1H2 339/4885
US-20240150367-A1 NITROGEN-CONTAINING SPIRO CYCLIC COMPOUNDS AND PHARMACEUTICAL USE THEREOF REN, PKD1, NPR1 HSD17B10 2549/4885SMN1; SMN2 2018/4885NR1H2 851/4885

“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.