SCHEMBL3337646

SCHEMBL3337646

COc1cc(C(N)=O)ccc1F

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.58
CYP1A2 P05177 3/20 0.53
TSHR P16473 2/20 0.53
CYP3A4 P08684 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2C9 P11712 1/20 0.53
AR P10275 1/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA12 O43570 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA7 P43166 1/20 0.52
TPMT P51580 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
HTT P42858 2/20 0.51
RAB9A P51151 2/20 0.51
LMNA P02545 1/20 0.51
PARP10 Q53GL7 3/20 0.50

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
SCHEMBL30278904 0.85 HTT (0.71) MAPK1CYP1A2TSHRCYP3A4CYP2C19
SCHEMBL1477740 0.85 HTT (0.71) MAPK1CYP1A2TSHRCYP3A4CYP2C19
SCHEMBL28094523 0.85 CYP1A2 (0.68) MAPK1CYP1A2TSHRCYP3A4CYP2C19
SCHEMBL335681 0.84 MAPK1 (0.77) MAPK1CYP1A2TSHRCYP3A4CYP2C19
SCHEMBL29415167 0.84 MAPK1 (0.77) MAPK1CYP1A2TSHRCYP3A4CYP2C19
SCHEMBL30307554 0.83 HTT (0.73) MAPK1CYP1A2TSHRCYP3A4CYP2C19
SCHEMBL29599043 0.83 LMNA (0.55) MAPK1CYP1A2TSHRCYP3A4CYP2C19
SCHEMBL156299 0.83 HTT (0.73) MAPK1CYP1A2TSHRCYP3A4CYP2C19
SCHEMBL660929 0.83 LMNA (0.55) MAPK1CYP1A2TSHRCYP3A4CYP2C19
SCHEMBL23850758 0.83 CYP1A2 (0.47) MAPK1CYP1A2TSHRCYP3A4CYP2C19

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 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10696611-B2 Adamantane derivative compound AMOREPACIFIC CORPORATION (KR) 2020-06-30 US claimed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP claimed
US-20170283347-A1 NOVEL ADAMANTANE DERIVATIVE COMPOUND AMOREPACIFIC CORPORATION (KR) 2017-10-05 US claimed
EP-3187486-A1 NOVEL ADAMANTANE DERIVATIVE COMPOUND Amorepacific Corporation (KR) 2017-07-05 EP claimed
EP-2681215-B1 SERINE/THREONINE KINASE INHIBITORS ARRAY BIOPHARMA INC (US) 2015-04-22 EP claimed
US-8288552-B2 Dihydropyridone amidesas P2X7 modulators ROCHE PALO ALTO LLC (US) 2012-10-16 US claimed
EP-1773768-A4 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2008-08-06 EP claimed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP claimed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 WO claimed
US-20260125359-A1 HETEROARYL COMPOUNDS AS MULTI-TARGET PROTEIN KINASE INHIBITORS FUJIAN HAIXI PHARMACEUTICALS CO LTD (CN) 2026-05-07 US disclosed
EP-3187486-B1 NOVEL ADAMANTANE DERIVATIVE COMPOUND AMOREPACIFIC CORP (KR) 2023-10-18 EP disclosed
US-10696611-B2 Adamantane derivative compound AMOREPACIFIC CORPORATION (KR) 2020-06-30 US disclosed
CN-107207416-B Novel adamantane derivative compound 株式会社爱茉莉太平洋 2020-02-07 CN disclosed
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1911743-A1 CYCLIC AMINE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2008-04-16 EP disclosed
EP-1844020-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS Exelixis, Inc. (US) 2007-10-17 EP disclosed
EP-1773768-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS Exelixis, Inc. (US) 2007-04-18 EP disclosed
WO-2006076202-A1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTORS LIGANDS EXELIXIS, INC. (US) 2006-07-20 WO disclosed
WO-2006012642-A2 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS, INC. (US) 2006-02-02 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 (3 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-10696611-B2 Adamantane derivative compound ADAM8, BACE1, CYP17A1 MAPK1 2937/4885CYP1A2 287/4885TSHR 4090/4885
US-20170283347-A1 NOVEL ADAMANTANE DERIVATIVE COMPOUND ADAM8, CYP17A1, ADAM10 MAPK1 2795/4885CYP1A2 333/4885TSHR 3845/4885
US-20260125359-A1 HETEROARYL COMPOUNDS AS MULTI-TARGET PROTEIN KINASE INHIBITORS ERBB2, ERBB3, ARRB1 MAPK1 80/4885CYP1A2 2879/4885TSHR 74/4885

“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.