SCHEMBL3081802

SCHEMBL3081802

CN[C@H]1CCCc2cccnc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
ADORA2A P29274 1/20 0.43
PDPK1 O15530 1/20 0.42
CXCR4 P61073 6/20 0.41
SCN1A P35498 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN8A Q9UQD0 1/20 0.41
CYP2D6 P10635 2/20 0.41
P2RX7 Q99572 2/20 0.40
MAPK1 P28482 1/20 0.39

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
SCHEMBL3088474 1.00 HDAC1 (0.50) HDAC1HDAC6ADORA2APDPK1CXCR4
SCHEMBL4891510 1.00 HDAC1 (0.50) HDAC1HDAC6ADORA2APDPK1CXCR4
Hydrochloric Acid SCHEMBL18765360 0.98 HDAC1 (0.49) HDAC1HDAC6ADORA2APDPK1CXCR4
Hydrochloric Acid SCHEMBL4890977 0.98 HDAC1 (0.49) HDAC1HDAC6ADORA2APDPK1CXCR4
SCHEMBL5426156 0.95 HDAC1 (0.49) HDAC1HDAC6ADORA2APDPK1CXCR4
Oxalic Acid SCHEMBL3743488 0.91 HDAC1 (0.53) HDAC1HDAC6ADORA2ACXCR4SCN1A
SCHEMBL5425623 0.90 PDPK1 (0.53) HDAC1HDAC6PDPK1P2RX7MAPK1
Hydrochloric Acid SCHEMBL18764973 0.88 PDPK1 (0.51) HDAC1HDAC6PDPK1P2RX7MAPK1
SCHEMBL18157989 0.86 HDAC1 (0.52) HDAC1HDAC6ADORA2ACXCR4SCN1A
SCHEMBL4113740 0.84 HDAC1 (0.48) HDAC1HDAC6ADORA2ACXCR4SCN1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12582645-B2 Chemokine CXCR4 receptor modulators and uses related thereto EMORY UNIVERSITY (US) 2026-03-24 US disclosed
US-20240368146-A1 Morpholine-Containing & Piperazine-Containing CXCR4 Modulators and Uses Related Thereto UNIV EMORY (US) 2024-11-07 US disclosed
US-20240316034-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2024-09-26 US disclosed
EP-4373485-A1 CXCR4 MODULATORS AND USES RELATED THERETO Emory University (US) 2024-05-29 EP disclosed
US-20230271961-A1 Pan-Tropic Entry Inhibitors UNIV EMORY (US) 2023-08-31 US disclosed
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto UNIV EMORY (US) 2023-04-13 US disclosed
WO-2023003862-A1 CXCR4 MODULATORS AND USES RELATED THERETO EMORY UNIVERSITY (US) 2023-01-26 WO disclosed
US-11497744-B2 Chemokine CXCR4 receptor modulators and uses related thereto EMORY UNIVERSITY (US) 2022-11-15 US disclosed
US-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto EMORY UNIVERSITY 2020-02-20 US disclosed
US-20070254910-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION 2007-11-01 US disclosed
US-20070232615-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2007-10-04 US disclosed
US-20070232615-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2007-10-04 US disclosed
US-20070232615-A1 Chemical Compounds SMITHKLINE BEECHAM CORPORATION 2007-10-04 US disclosed
WO-2007087548-A9 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2007-09-27 WO disclosed
WO-2007087548-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-08-02 WO disclosed
EP-1799671-A2 CHEMICAL COMPOUNDS SmithKline Beecham Corporation (US) 2007-06-27 EP disclosed
EP-1789045-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-30 EP disclosed
WO-2006026703-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-09 WO disclosed
WO-2006023400-A2 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-03-02 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 (9 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-20200054623-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 HDAC1 1180/4885HDAC6 1205/4885ADORA2A 71/4885
US-20240368146-A1 Morpholine-Containing & Piperazine-Containing CXCR4 Modulators and Uses Related Thereto CXCR4, CXCL12, MYD88 HDAC1 1890/4885HDAC6 1116/4885ADORA2A 18/4885
US-20240316034-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 HDAC1 1180/4885HDAC6 1205/4885ADORA2A 71/4885
US-11497744-B2 Chemokine CXCR4 receptor modulators and uses related thereto CXCR4, CXCL12, CXCR1 HDAC1 1180/4885HDAC6 1205/4885ADORA2A 71/4885
US-20230271961-A1 Pan-Tropic Entry Inhibitors CXCR4, CCR5, CXCL12 HDAC1 472/4885HDAC6 393/4885ADORA2A 221/4885
US-20230112832-A1 Chemokine CXCR4 Receptor Modulators and Uses Related Thereto CXCR4, CXCL12, CXCR1 HDAC1 1180/4885HDAC6 1205/4885ADORA2A 71/4885
US-20070232615-A1 Chemical Compounds CXCR4, CCR5, CXCR3 HDAC1 815/4885HDAC6 563/4885ADORA2A 388/4885
US-20070254910-A1 CHEMICAL COMPOUNDS CXCR4, CCR5, CXCR3 HDAC1 815/4885HDAC6 563/4885ADORA2A 388/4885
US-12582645-B2 Chemokine CXCR4 receptor modulators and uses related thereto CXCR4, CXCR2, CXCR1 HDAC1 2048/4885HDAC6 2673/4885ADORA2A 48/4885

“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.