SCHEMBL4113740

SCHEMBL4113740

CC(C)NC1CCCc2cccnc21

nearest known ligand 0.48

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.48
HDAC6 Q9UBN7 2/20 0.48
ADORA2A P29274 1/20 0.42
CXCR4 P61073 8/20 0.41
SCN1A P35498 1/20 0.40
SCN5A Q14524 1/20 0.40
SCN8A Q9UQD0 1/20 0.40
CYP2D6 P10635 2/20 0.39
P2RX7 Q99572 2/20 0.39
MAPK1 P28482 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
SCHEMBL4882672 1.00 HDAC1 (0.48) HDAC1HDAC6ADORA2ACXCR4SCN1A
SCHEMBL20848115 0.86 GAA (0.47) HDAC1HDAC6ADORA2ACXCR4SCN1A
SCHEMBL13069026 0.86 GAA (0.47) HDAC1HDAC6ADORA2ACXCR4SCN1A
SCHEMBL3088474 0.84 HDAC1 (0.50) HDAC1HDAC6ADORA2ACXCR4SCN1A
SCHEMBL3081802 0.84 HDAC1 (0.50) HDAC1HDAC6ADORA2ACXCR4SCN1A
SCHEMBL4891510 0.84 HDAC1 (0.50) HDAC1HDAC6ADORA2ACXCR4SCN1A
SCHEMBL4562781 0.84 HDAC1 (0.54) HDAC1HDAC6ADORA2ACXCR4SCN1A
SCHEMBL4936081 0.84 HDAC1 (0.54) HDAC1HDAC6ADORA2ACXCR4SCN1A
SCHEMBL18157989 0.83 HDAC1 (0.52) HDAC1HDAC6ADORA2ACXCR4SCN1A
Hydrochloric Acid SCHEMBL4890977 0.83 HDAC1 (0.49) 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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1778231-A4 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 2009-06-03 EP claimed
EP-1778231-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2007-05-02 EP claimed
WO-2006020415-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2006-02-23 WO claimed
CN-116462711-B Bidentate nitrogen-manganese complex, preparation method thereof, catalyst composition and application 河北农业大学 2025-04-08 CN disclosed
CN-116462711-A Bidentate nitrogen-manganese complex, preparation method thereof, catalyst composition and application 河北农业大学 2023-07-21 CN disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080293711-A1 Chemokine receptor modulators METASTATIX, INC. 2008-11-27 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
US-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea METASTATIX, INC. 2008-10-23 US disclosed
WO-2008109154-A1 CHEMOKINE RECEPTOR MODULATORS ALTIRIS THERAPEUTICS, INC. (US) 2008-09-12 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 (2 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-20080261978-A1 treating or preventing HIV infections, and in treating proliferative disorders such as inhibiting the metastasis of various cancers; 1-(4-((pyridin-2-ylmethylamino)methyl)benzyl)-3-phenylurea MKI67, CCNI, CDKN1A HDAC1 703/4885HDAC6 1192/4885ADORA2A 2854/4885
US-20080293711-A1 Chemokine receptor modulators CCR5, CCL2, CXCR4 HDAC1 803/4885HDAC6 1039/4885ADORA2A 493/4885

“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.