Predicted protein targets (top 11)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ESR1 | P03372 | 5/20 | 0.72 |
| ▸ | ESR2 | Q92731 | 5/20 | 0.72 |
| ▸ | PKM | P14618 | 1/20 | 0.51 |
| ▸ | NOTUM | Q6P988 | 1/20 | 0.49 |
| ▸ | ABHD6 | Q9BV23 | 2/20 | 0.48 |
| ▸ | DPP7 | Q9UHL4 | 2/20 | 0.47 |
| ▸ | CCR2 | P41597 | 3/20 | 0.46 |
| ▸ | SPR | P35270 | 1/20 | 0.46 |
| ▸ | DPP4 | P27487 | 1/20 | 0.46 |
| ▸ | MERTK | Q12866 | 1/20 | 0.45 |
| ▸ | PHGDH | O43175 | 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.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL29963966 | 0.94 | ESR2 (0.72) | ESR1ESR2PKMNOTUMABHD6 | |
| SCHEMBL3874010 | 0.94 | ESR2 (0.72) | ESR1ESR2PKMNOTUMABHD6 | |
| SCHEMBL27176737 | 0.91 | ESR1 (0.58) | ESR1ESR2PKMNOTUMABHD6 | |
| SCHEMBL18701688 | 0.89 | ESR1 (0.57) | ESR1ESR2NOTUMDPP7CCR2 | |
| SCHEMBL14101113 | 0.89 | ESR1 (0.68) | ESR1ESR2PKMABHD6SPR | |
| SCHEMBL18711259 | 0.85 | NOTUM (0.59) | ESR1ESR2NOTUMABHD6DPP7 | |
| SCHEMBL4183920 | 0.84 | ESR1 (0.74) | ESR1ESR2PKMABHD6DPP7 | |
| SCHEMBL7641635 | 0.83 | ESR2 (0.68) | ESR1ESR2PKMNOTUMABHD6 | |
| SCHEMBL2616863 | 0.82 | ESR1 (0.72) | ESR1ESR2PKMNOTUMABHD6 | |
| SCHEMBL2821470 | 0.82 | ESR1 (0.76) | ESR1ESR2PKMABHD6MERTK |
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 53 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| CN-112457245-A | Synthesis method of 7- (trifluoromethyl) isoquinoline-5-amine | 苏州康润医药有限公司 | 2021-03-09 | — | — | CN | claimed |
| CN-112457245-A | Synthesis method of 7- (trifluoromethyl) isoquinoline-5-amine | 苏州康润医药有限公司 | 2021-03-09 | — | — | CN | disclosed |
| WO-2019044940-A1 | CYCLIC AMINE DERIVATIVE AND USE THEREOF FOR MEDICAL PURPOSES | 東レ株式会社 | 2019-03-07 | — | — | WO | disclosed |
| US-7700772-B2 | Amino heterocyclic modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. (US) | 2010-04-20 | — | — | US | disclosed |
| US-7700772-B2 | Amino heterocyclic modulators of chemokine receptor activity | MERCK SHARP & DOHME CORP. (US) | 2010-04-20 | — | — | US | disclosed |
| EP-1144405-B1 | TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY | ABBOTT GMBH & CO KG (DE) | 2009-11-25 | — | — | EP | disclosed |
| US-7598243-B2 | inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases | MERCK & CO., INC. (US) | 2009-10-06 | — | — | US | disclosed |
| US-7598243-B2 | inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases | MERCK & CO., INC. (US) | 2009-10-06 | — | — | US | disclosed |
| US-7598243-B2 | inhibit atherosclerotic lesion formation and pathological progression by impairing monocyte recruitment and differentiation in the arterial wall; antiinflammatory, anticarcinogenic agent; autoimmune diseases | MERCK & CO., INC. (US) | 2009-10-06 | — | — | US | disclosed |
| US-7557124-B2 | Tetrahydropyranyl cyclopentyl tetrahydropyridopyridine modulators of chemokine receptor activity | MERCK & CO., INC. (US) | 2009-07-07 | — | — | US | disclosed |
| EP-1501803-A4 | TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO INC (US) | 2006-04-26 | — | — | EP | disclosed |
| EP-1622916-A2 | HETEROCYCLIC CYCLOPENTYL TETRAHYDROISOQUINOLINE AND TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2006-02-08 | — | — | EP | disclosed |
| WO-2005115392-A2 | 3-(4-HETEROARYLCYCLOHEXYLAMINO) CYCLOPENTANECARBOXAMIDES AS MODULATORS OF CHEMOKINE RECEPTORS | INCYTE CORPORATION (US) | 2005-12-08 | — | — | WO | disclosed |
| US-20050267146-A1 | 3-(4-Heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors | INCYTE CORPORATION | 2005-12-01 | — | — | US | disclosed |
| EP-1501803-A2 | TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | Merck & Co., Inc. (US) | 2005-02-02 | — | — | EP | disclosed |
| WO-2004094371-A2 | HETEROCYCLIC CYCLOPENTYL TETRAHYDROISOQUINOLINE AND TETRAHYDROPYRIDOPYRIDINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2004-11-04 | — | — | WO | disclosed |
| WO-2003093231-A2 | TETRAHYDROPYRANYL CYCLOPENTYL TETRAHYDROISOQUINOLINE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY | MERCK & CO., INC. (US) | 2003-11-13 | — | — | WO | disclosed |
| US-6602867-B1 | Triazole compounds with dopamine-D3-receptor affinity | ABBOTT LABORATORIES | 2003-08-05 | — | — | US | disclosed |
| EP-1144405-A1 | TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY | BASF AKTIENGESELLSCHAFT (DE) | 2001-10-17 | — | — | EP | disclosed |
| WO-2000042036-A1 | TRIAZOLE COMPOUNDS WITH DOPAMINE-D3-RECEPTOR AFFINITY | BASF AKTIENGESELLSCHAFT (DE) | 2000-07-20 | — | — | 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.
| Patent | Title | Text reads most about | Predicted target · text-rank |
|---|---|---|---|
| US-20050267146-A1 | 3-(4-Heteroarylcyclohexylamino)cyclopentanecarboxamides as modulators of chemokine receptors | CCR5, CXCR3, CCR2 | ESR1 1657/4885ESR2 398/4885PKM 3958/4885 |
“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.