SCHEMBL3104656

SCHEMBL3104656

CC(C)(C)OC(=O)N1CCC(C)(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
TACR1 P25103 1/20 0.49
OPRD1 P41143 1/20 0.49
OPRK1 P41145 1/20 0.49
STS P08842 1/20 0.47
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 1/20 0.46
GPR119 Q8TDV5 1/20 0.45
NPC1 O15118 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
ATM Q13315 1/20 0.45
YAP1 P46937 1/20 0.45
HTT P42858 1/20 0.45

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
SCHEMBL23582844 0.93 MEN1 (0.46) MEN1KMT2ATACR1OPRD1OPRK1
SCHEMBL13130080 0.89 TACR1 (0.50) MEN1KMT2ATACR1OPRD1OPRK1
SCHEMBL3498595 0.88 TACR1 (0.49) MEN1KMT2ATACR1OPRD1OPRK1
SCHEMBL3092773 0.87 TACR1 (0.48) MEN1KMT2ATACR1OPRD1OPRK1
SCHEMBL23776305 0.87 OPRD1 (0.51) MEN1KMT2ATACR1OPRD1OPRK1
SCHEMBL25304414 0.86 MEN1 (0.45) MEN1KMT2AMAPT
SCHEMBL6161492 0.86 TSHR (0.56) MEN1KMT2ATACR1OPRD1OPRK1
Ammonia Solution, Strong SCHEMBL28751391 0.86 TACR1 (0.48) MEN1KMT2ATACR1OPRD1OPRK1
SCHEMBL22014536 0.86 TACR1 (0.48) MEN1KMT2ATACR1OPRD1OPRK1
SCHEMBL4326509 0.86 LMNA (0.51) MEN1KMT2ATACR1OPRD1OPRK1

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
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
US-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF TORAY INDUSTRIES, INC. (JP) 2010-09-16 US disclosed
CN-101454299-A Ureide derivative and use thereof for medical purposes TORAY INDUSTRIES (JP) 2009-06-10 CN disclosed
EP-2009006-A1 UREIDE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES TORAY INDUSTRIES, INC. (JP) 2008-12-31 EP 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-20100234395-A1 UREIDE DERIVATIVE AND PHARMACEUTICAL APPLICATION THEREOF UROD, UTS2R, SLC14A1 MEN1 1635/4885KMT2A 3421/4885TACR1 573/4885

“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.