SCHEMBL3227930

SCHEMBL3227930

CC(C)(C)OC(=O)N1CCCC(O)(c2ccccc2CO)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 3/20 0.42
CYP11B2 P19099 1/20 0.42
OPRM1 P35372 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
OPRL1 P41146 1/20 0.41
HDAC1 Q13547 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
PDK2 Q15119 1/20 0.40
USP30 Q70CQ3 1/20 0.39
SCD5 Q86SK9 1/20 0.39
DTYMK P23919 1/20 0.38
GPR119 Q8TDV5 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 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
SCHEMBL3224584 0.93 CYP11B2 (0.46) KDM1ACYP11B2OPRM1OPRD1OPRK1
SCHEMBL3233999 0.88 CHRM2 (0.42) KDM1ACYP11B2OPRM1OPRD1OPRK1
SCHEMBL27201496 0.84 USP30 (0.42) KDM1ACYP11B2HDAC1HDAC8HDAC6
SCHEMBL30952447 0.83 SIGMAR1 (0.44) KDM1ACYP11B2OPRM1OPRD1OPRK1
SCHEMBL21359237 0.83 SIGMAR1 (0.44) KDM1ACYP11B2OPRM1OPRD1OPRK1
SCHEMBL31513766 0.81 TSHR (0.47) CYP11B2OPRD1OPRK1USP30SCD5
SCHEMBL6982730 0.81 TSHR (0.47) CYP11B2OPRD1OPRK1USP30SCD5
SCHEMBL23305091 0.78 POLB (0.44) CYP11B2OPRD1OPRK1MEN1KMT2A
SCHEMBL29758585 0.78 POLB (0.44) CYP11B2OPRD1OPRK1MEN1KMT2A
SCHEMBL29758584 0.78 POLB (0.44) CYP11B2OPRD1OPRK1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 KDM1A 1046/4885CYP11B2 8/4885OPRM1 2864/4885

“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.