SCHEMBL16767773

SCHEMBL16767773

CC(C)(C)OC(=O)N1CCCCC(n2c(N)nc3cccc(Cl)c32)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 2/20 0.46
▸ BTK Q06187 1/20 0.46
▸ TNF P01375 2/20 0.42
▸ LITAF Q99732 2/20 0.42
▸ OPRM1 P35372 3/20 0.42
▸ OGFRL1 Q5TC84 3/20 0.42
▸ OPRD1 P41143 2/20 0.42
▸ OPRK1 P41145 2/20 0.42
▸ EGFR P00533 3/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ STS P08842 1/20 0.41
▸ PARP1 P09874 1/20 0.39
▸ USP30 Q70CQ3 2/20 0.39
▸ SRC P12931 2/20 0.39
▸ FPR2 P25090 1/20 0.39
▸ PRMT5 O14744 1/20 0.38
▸ ABL1 P00519 1/20 0.38
▸ ABL2 P42684 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ HPGD P15428 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
SCHEMBL16767775 1.00 HSD11B1 (0.46) HSD11B1BTKTNFLITAFOPRM1
SCHEMBL29531255 1.00 HSD11B1 (0.46) HSD11B1BTKTNFLITAFOPRM1
SCHEMBL16896153 0.90 EGFR (0.45) BTKTNFLITAFOPRM1OGFRL1
SCHEMBL16896151 0.90 EGFR (0.45) BTKTNFLITAFOPRM1OGFRL1
SCHEMBL29531461 0.90 EGFR (0.45) BTKTNFLITAFOPRM1OGFRL1
SCHEMBL16901721 0.86 BTK (0.43) BTKTNFLITAFOPRM1OGFRL1
SCHEMBL16901720 0.86 BTK (0.43) BTKTNFLITAFOPRM1OGFRL1
SCHEMBL19037547 0.86 BTK (0.42) BTKTNFLITAFOPRM1OGFRL1
SCHEMBL26132563 0.85 EGFR (0.43) HSD11B1OGFRL1EGFRCYP2D6PRMT5
SCHEMBL26606547 0.85 EGFR (0.43) HSD11B1OGFRL1EGFRCYP2D6PRMT5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180153899-A1 PHARMACEUTICAL COMPOSITIONS NOVARTIS PHARMA AG (CH) 2018-06-07 — — US disclosed
EP-3257848-A1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY Novartis AG (CH) 2017-12-20 — — EP disclosed
EP-2773635-B1 COMPOUNDS AND COMPOSITIONS FOR MODULATING EGFR ACTIVITY NOVARTIS AG (CH) 2017-08-02 — — EP disclosed
US-9440957-B2 Compounds and compositions for modulating EGFR Activity NOVARTIS AG (CH) 2016-09-13 — — US disclosed
US-9440957-B2 Compounds and compositions for modulating EGFR Activity NOVARTIS AG (CH) 2016-09-13 — — US disclosed
US-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-07-16 — — US disclosed
US-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity IRM LLC, A DELAWARE LIMITED LIABILITY COMPANY (BM) 2015-07-16 — — US disclosed
WO-2015081463-A1 EGFR INHIBITOR FORMS NOVARTIS AG (CH) 2015-06-11 — — 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 (2 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-20150197505-A1 Compounds and Compositions for Modulating EGFR Activity EGFR, ERBB2, ERBB3 HSD11B1 3822/4885BTK 77/4885TNF 2084/4885
US-20180153899-A1 PHARMACEUTICAL COMPOSITIONS NR3C2, PTMS, CYP2C19 HSD11B1 161/4885BTK 2280/4885TNF 3613/4885

“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.

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