SCHEMBL12497627

SCHEMBL12497627

CC(C)(C)OC(=O)N1CCC(C(=O)O)(c2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
ALOX15 P16050 1/20 0.47
ATM Q13315 1/20 0.47
OPRM1 P35372 1/20 0.47
CCR5 P51681 4/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
TACR1 P25103 1/20 0.44
APP P05067 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
AKR1C3 P42330 1/20 0.44
PSEN1 P49768 1/20 0.44
PSEN2 P49810 1/20 0.44
AKR1C2 P52895 1/20 0.44
APH1B Q8WW43 1/20 0.44
NCSTN Q92542 1/20 0.44
APH1A Q96BI3 1/20 0.44
PSENEN Q9NZ42 1/20 0.44

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
SCHEMBL27228860 0.93 OPRM1 (0.46) TSHRALOX15ATMOPRM1CCR5
SCHEMBL14272919 0.91 KMT2A (0.48) TSHRALOX15ATMOPRM1CCR5
SCHEMBL13070850 0.90 OPRM1 (0.47) TSHRALOX15ATMOPRM1CCR5
SCHEMBL191607 0.90 AKR1C3 (0.47) TSHRALOX15ATMKMT2AMEN1
SCHEMBL13754273 0.89 TSHR (0.44) TSHRALOX15ATMKMT2AMEN1
SCHEMBL31382332 0.88 OPRM1 (0.51) TSHRALOX15ATMOPRM1CCR5
SCHEMBL13070849 0.86 CCR5 (0.47) TSHRALOX15ATMOPRM1CCR5
SCHEMBL654813 0.86 KMT2A (0.59) TSHRALOX15ATMKMT2AMEN1
SCHEMBL13070452 0.85 OPRM1 (0.48) TSHRALOX15ATMOPRM1CCR5
SCHEMBL654359 0.85 CCR5 (0.47) TSHRALOX15ATMCCR5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103635472-B Serine/threonine kinase inhibitor 阵列生物制药公司 2018-01-12 CN disclosed
CN-104876934-B A kind of nitrogen heterocyclic ring phenylpiperidine compound and preparation method and application 山东大学 2017-08-11 CN disclosed
US-9133187-B2 Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC. (US) 2015-09-15 US disclosed
CN-104876934-A Nitrogen-containing heterocyclic phenyl piperidine compound as well as preparation method and application thereof UNIV SHANDONG 2015-09-02 CN disclosed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP disclosed
CN-103635472-A Serine/threonine kinase inhibitors ARRAY BIOPHARMA INC 2014-03-12 CN disclosed
EP-2681215-A1 SERINE/THREONINE KINASE INHIBITORS Array Biopharma, Inc. (US) 2014-01-08 EP disclosed
US-20130338140-A1 SERINE/THREONINE KINASE INHIBITORS GENETECH, INC. (US) 2013-12-19 US disclosed
WO-2012118850-A1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2012-09-07 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 (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-20130338140-A1 SERINE/THREONINE KINASE INHIBITORS MAP3K1, MAP3K2, MAP3K20 TSHR 1564/4885ALOX15 4748/4885ATM 280/4885

“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.