SCHEMBL12586554

SCHEMBL12586554

O=C(NC1C2CC3CC(C2)CC1C3)[C@@H]1Cc2ccccc2CN1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
EPHX2 P34913 3/20 0.44
OPRM1 P35372 1/20 0.44
OPRD1 P41143 1/20 0.44
OPRK1 P41145 1/20 0.44
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMYD3 Q9H7B4 1/20 0.42
PRMT5 O14744 1/20 0.42
WDR77 Q9BQA1 1/20 0.42
HSD11B1 P28845 5/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL12586571 1.00 KMT2A (0.48) KMT2AMEN1EPHX2OPRM1OPRD1
SCHEMBL6444461 0.79 KMT2A (0.53) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL27470508 0.76 KMT2A (0.57) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL4650499 0.75 KMT2A (0.51) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL13647331 0.75 KMT2A (0.56) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL8268852 0.75 KMT2A (0.56) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL18231444 0.74 KMT2A (0.46) KMT2AMEN1OPRM1OPRD1OPRK1
SCHEMBL12586459 0.74 HSD17B10 (0.55) KMT2AEPHX2HSD17B10L3MBTL1HSD11B1
SCHEMBL12586579 0.74 SMYD3 (0.60) KMT2AEPHX2HSD17B10L3MBTL1SMYD3
SCHEMBL12586262 0.73 HSD17B10 (0.46) KMT2AEPHX2HSD17B10L3MBTL1HSD11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7968601-B2 Treating excess cortisol formation; obesity, cardiovascular disorders, glaucoma, osteoporosis, Alzheimer's Disease; antidiabetic agents JANSSEN PHARMACEUTICA N.V. (BE) 2011-06-28 US disclosed
US-20080096869-A1 ADAMANTYL ACETAMIDES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS LINDERS JOANNES T M 2008-04-24 US disclosed
US-7332524-B2 Adamantyl acetamides as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-19 US disclosed
US-7332524-B2 Adamantyl acetamides as 11-beta hydroxysteroid dehydrogenase inhibitors JANSSEN PHARMACEUTICA N.V. (BE) 2008-02-19 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-20080096869-A1 ADAMANTYL ACETAMIDES AS 11-BETA HYDROXYSTEROID DEHYDROGENASE INHIBITORS DHCR7, HSD3B2, HSD3B1 KMT2A 3938/4885MEN1 2380/4885EPHX2 136/4885

“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.