SCHEMBL4735015

SCHEMBL4735015

N#Cc1ccc2c(c1)CC(N)C2

nearest known ligand 0.53

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PNMT P11086 6/20 0.49
KDM1A O60341 2/20 0.47
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
DRD2 P14416 3/20 0.46
DRD3 P35462 3/20 0.46
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA14 Q9ULX7 2/20 0.46
FYN P06241 1/20 0.43
OPRK1 P41145 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
SCHEMBL29593839 1.00 PNMT (0.49) PNMTKDM1ACA1CA2DRD2
Hydrochloric Acid SCHEMBL1785634 0.98 PNMT (0.47) PNMTKDM1ACA1CA2DRD2
Hydrochloric Acid SCHEMBL29878547 0.98 PNMT (0.47) PNMTKDM1ACA1CA2DRD2
SCHEMBL2724775 0.85 OPRK1 (0.57) KDM1ADRD2DRD3OPRK1
SCHEMBL9752117 0.85 DRD2 (0.57) PNMTKDM1ADRD2DRD3OPRK1
SCHEMBL2722643 0.85 OPRK1 (0.57) KDM1ADRD2DRD3OPRK1
SCHEMBL16233592 0.80 PNMT (0.49) PNMTKDM1ADRD2DRD3
SCHEMBL1014688 0.77 PNMT (0.46) PNMTKDM1ACA1CA2DRD2
SCHEMBL1014689 0.77 PNMT (0.46) PNMTKDM1ACA1CA2DRD2
SCHEMBL1015849 0.77 PNMT (0.46) PNMTKDM1ACA1CA2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2023-10-12 US disclosed
CN-116490499-A Modulators of MYC family protooncogene proteins 纳罗医疗公司 2023-07-25 CN disclosed
EP-4204411-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN Nalo Therapeutics (US) 2023-07-05 EP disclosed
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF SICHUAN HAISCO PHARMACEUTICAL CO., LTD. (CN) 2023-03-02 US disclosed
US-20210369710-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2021-12-02 US disclosed
US-20210369710-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN NALO THERAPEUTICS (US) 2021-12-02 US disclosed
CN-113710663-A Modulators of MYC family proto-oncogene proteins 纳罗医疗公司 2021-11-26 CN disclosed
US-20210363152-A1 AMINOAZINE AMIDES HOFFMANN LA ROCHE (US) 2021-11-25 US disclosed
CN-111836807-A Oxaspiro compounds, preparation method and application thereof 四川科伦博泰生物医药股份有限公司 2020-10-27 CN disclosed
US-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS SMITHKLINE BEECHAM CORPORATION (US) 2011-05-26 US disclosed
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-7939528-B2 Heterocycle compounds GLAXOSMITHKLINE LLC (US) 2011-05-10 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS IGNAR DIANE MICHELE 2010-05-06 US disclosed
CN-101522614-A Novel compounds as antagonists or inverse agonists of opioid receptors SMITHKLINE BEECHAM CORP (US) 2009-09-02 CN disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 US disclosed
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS GLAXOSMITHKLINE LLC 2009-02-26 US disclosed
CN-101331120-A Phenolic ether compounds as opioid receptor modulators SMITHKLINE BEECHAM CORP (US) 2008-12-24 CN disclosed
WO-2008061006-A1 SUBSTITUTED INDAN-2-YL, TETRAHYDRONAPHTHALEN-2-YL, OR DIHYDR0-2H-CHR0MEN-3-YL ARYLSULFONAMIDES AND METHODS OF THEIR USE WYETH (US) 2008-05-22 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 (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-20110124559-A1 NOVEL COMPOUNDS AS ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRM1, OPRK1 PNMT 486/4885KDM1A 4151/4885CA1 4423/4885
US-20230322722-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN MYC, MYCBP, MYCBP2 PNMT 2217/4885KDM1A 2986/4885CA1 4872/4885
US-20100113512-A1 METHOD OF TREATMENT USING NOVEL ANTAGONISTS OR INVERSE AGONISTS AT OPIOID RECEPTORS OPRL1, OPRD1, OPRK1 PNMT 330/4885KDM1A 3047/4885CA1 3837/4885
US-20230069174-A1 NITROGEN-CONTAINING HETEROCYCLIC AUTOTAXIN INHIBITOR, AND COMPOSITION CONTAINING SAME AND USE THEREOF ENPP2, NMT2, NMT1 PNMT 680/4885KDM1A 3059/4885CA1 288/4885
US-20210369710-A1 MODULATORS OF MYC FAMILY PROTO-ONCOGENE PROTEIN MYC, MYCBP, MYCBP2 PNMT 2217/4885KDM1A 2986/4885CA1 4872/4885
US-20090054431-A1 NOVEL HETEROCYCLE COMPOUNDS OPRK1, OPRL1, OPRD1 PNMT 500/4885KDM1A 3768/4885CA1 4777/4885
US-20210363152-A1 AMINOAZINE AMIDES SLC6A15, SLC1A5, SLC7A5 PNMT 2250/4885KDM1A 2411/4885CA1 1306/4885

“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.