SCHEMBL670988

SCHEMBL670988

[CH]1CCC2(C1)CCNCC2

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.33
CYP2D6 P10635 3/20 0.32
USP2 O75604 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
OPRM1 P35372 1/20 0.30

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
SCHEMBL1627317 0.85
SCHEMBL14810515 0.85 CYP2D6 (0.34) TSHRCYP2D6USP2ALDH1A1HPGD
SCHEMBL1629026 0.83 CYP2D6 (0.39) TSHRCYP2D6USP2ALDH1A1HPGD
SCHEMBL623024 0.80
SCHEMBL18763507 0.80
SCHEMBL2639734 0.80
SCHEMBL314510 0.77 TSHR (0.32) TSHRCYP2D6USP2ALDH1A1HPGD
SCHEMBL15556892 0.76
SCHEMBL112025 0.75
SCHEMBL149605 0.75

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof GENENTECH, INC. (US) 2023-03-28 US disclosed
EP-3860980-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF F. Hoffmann-La Roche AG (CH) 2021-08-11 EP disclosed
WO-2020138398-A1 NOVEL COMPOUND INHIBITING LYSINE-SPECIFIC DEMETHYLATING ENZYME 1, METHOD FOR PRODUCING SAME, AND USE OF SAME 国立研究開発法人理化学研究所 2020-07-02 WO disclosed
WO-2020072695-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 WO disclosed
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF GENENTECH, INC. (US) 2020-04-09 US disclosed
WO-2016190847-A1 SUBSTITUTED HETEROARYL COMPOUNDS AND METHODS OF USE CALITOR SCIENCES, LLC (US) 2016-12-01 WO disclosed
EP-1683798-B1 Fused polycyclic compounds having heterocycle and medicinal use thereof AJINOMOTO KK (JP) 2016-04-20 EP disclosed
EP-2605658-A1 SPIROXAZOLIDINONE COMPOUNDS Merck Sharp & Dohme Corp. (US) 2013-06-26 EP disclosed
US-20130041000-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO., INC. (JP) 2013-02-14 US disclosed
US-8299064-B2 Fused polycyclic compounds having a heterocyclic ring(s) and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2012-10-30 US disclosed
WO-2012024183-A1 SPIROXAZOLIDINONE COMPOUNDS MERCK SHARP & DOHME CORP. (US) 2012-02-23 WO disclosed
US-20110160191-A1 NEW FUSED POLYCYCLIC COMPOUNDS HAVING A HETEROCYCLIC RING(S) AND PHARMACEUTICAL USE THEREOF AJINOMOTO CO., INC. (JP) 2011-06-30 US disclosed
US-7928101-B2 Fused polycyclic compounds having a heterocyclic ring(s) and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2011-04-19 US disclosed
US-20090170911-A1 NOVEL AZOLE COMPOUND AJINOMOTO CO. INC (JP) 2009-07-02 US disclosed
US-7517996-B2 Azole compound AJINOMOTO CO., INC. (JP) 2009-04-14 US disclosed
US-20060194789-A1 Fused polycyclic compounds having a heterocyclic ring(s) and pharmaceutical use thereof AJINOMOTO CO., INC. (JP) 2006-08-31 US disclosed
US-20060194850-A1 Novel azole compound AJINOMOTO CO. INC (JP) 2006-08-31 US disclosed
EP-1683798-A1 NOVEL FUSED POLYCYCLIC COMPOUND HAVING HETEROCYCLE AND MEDICINAL USE THEREOF Ajinomoto Co., Inc. (JP) 2006-07-26 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 (7 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-20090170911-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 TSHR 539/4885CYP2D6 2076/4885USP2 3686/4885
US-20060194789-A1 Fused polycyclic compounds having a heterocyclic ring(s) and pharmaceutical use thereof SLC2A4, SLC2A3, SLC2A1 TSHR 692/4885CYP2D6 280/4885USP2 4679/4885
US-20110160191-A1 NEW FUSED POLYCYCLIC COMPOUNDS HAVING A HETEROCYCLIC RING(S) AND PHARMACEUTICAL USE THEREOF SLC2A4, SLC2A1, SLC2A3 TSHR 785/4885CYP2D6 316/4885USP2 4649/4885
US-20130041000-A1 NOVEL AZOLE COMPOUND LPAR1, LPAR2, LPAR3 TSHR 539/4885CYP2D6 2076/4885USP2 3686/4885
US-20200108075-A1 8-AMINOISOQUINOLINE COMPOUNDS AND USES THEREOF PHKG1, MAP4K5, HIPK1 TSHR 4838/4885CYP2D6 3682/4885USP2 1498/4885
US-20060194850-A1 Novel azole compound LPAR1, LPAR2, LPAR3 TSHR 539/4885CYP2D6 2076/4885USP2 3686/4885
US-11612606-B2 8-aminoisoquinoline compounds and uses thereof PHKG1, MAP4K5, HIPK1 TSHR 4838/4885CYP2D6 3682/4885USP2 1498/4885

“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.