SCHEMBL2493775

SCHEMBL2493775

CC(C)(C)OC(=O)N1CCC2(CCc3ccc(Cl)cc32)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.48
USP30 Q70CQ3 1/20 0.47
ESR2 Q92731 1/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NR1H2 P55055 1/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC8 Q9BY41 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
STS P08842 3/20 0.41
NOTUM Q6P988 1/20 0.41
SCD5 Q86SK9 1/20 0.39
GPR119 Q8TDV5 1/20 0.39
CYP11B2 P19099 1/20 0.39
OXTR P30559 1/20 0.38
AVPR1A P37288 1/20 0.38

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
SCHEMBL4917653 0.93 MEN1 (0.48) HSD11B1USP30ESR2MEN1KMT2A
SCHEMBL2500184 0.92 HSD11B1 (0.47) HSD11B1USP30ESR2MEN1KMT2A
SCHEMBL31758626 0.85 MEN1 (0.47) HSD11B1USP30ESR2MEN1KMT2A
SCHEMBL2188367 0.85 MEN1 (0.47) HSD11B1USP30ESR2MEN1KMT2A
SCHEMBL17205567 0.82 USP30 (0.48) USP30ESR2MEN1KMT2ANR1H2
SCHEMBL6527194 0.81 USP30 (0.45) USP30ESR2MEN1KMT2ANR1H2
SCHEMBL16086785 0.81 USP30 (0.45) USP30ESR2MEN1KMT2ANR1H2
SCHEMBL18490999 0.79 USP30 (0.46) USP30ESR2MEN1KMT2AHDAC1
SCHEMBL1689637 0.79 NOTUM (0.68) USP30ESR2MEN1KMT2AHDAC1
SCHEMBL17586453 0.79 ESR2 (0.45) USP30ESR2NR1H2HDAC1HDAC8

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
EP-3134408-B1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME (US) 2020-08-12 EP disclosed
US-10093683-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2018-10-09 US disclosed
EP-3134408-A1 FACTOR XIa INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-03-01 EP disclosed
US-20170044183-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-02-16 US disclosed
WO-2015164308-A1 FACTOR XIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-10-29 WO disclosed
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-8030322-B2 Spirocompounds useful as modulators for dopamine D3 receptors GLAXO GROUP LIMITED (GB) 2011-10-04 US disclosed
US-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-03-11 US disclosed
US-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2010-03-11 US disclosed
EP-2010523-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2009-01-07 EP disclosed
WO-2007125061-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS GLAXO GROUP LIMITED (GB) 2007-11-08 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 (3 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-20100063078-A1 SPIROCOMPOUNDS USEFUL AS MODULATORS FOR DOPAMINE D3 RECEPTORS NR3C2, DRD3, TACR1 HSD11B1 211/4885USP30 3065/4885ESR2 674/4885
US-20170044183-A1 FACTOR XIa INHIBITORS F11, SERPINC1, TFPI HSD11B1 1208/4885USP30 3157/4885ESR2 1963/4885
US-10093683-B2 Factor XIa inhibitors F11, F12, SERPINC1 HSD11B1 1105/4885USP30 3594/4885ESR2 2413/4885

“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.