SCHEMBL6735535

SCHEMBL6735535

COCC1=C(C(=O)OC)[C@H](c2ccc(F)c(F)c2)N(C(=O)NCCCN2CCC(c3ccccn3)CC2)C(=O)N1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 18/20 1.00
MCHR1 Q99705 3/20 0.72
DRD2 P14416 1/20 0.72
ADRA1D P25100 15/20 0.72
ADRA1B P35368 15/20 0.72

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
SCHEMBL29669497 1.00 ADRA1A (1.00) ADRA1AMCHR1DRD2ADRA1DADRA1B
SCHEMBL6735531 1.00 ADRA1A (1.00) ADRA1AMCHR1DRD2ADRA1DADRA1B
SCHEMBL8523219 0.88 ADRA1A (0.78) ADRA1AMCHR1DRD2ADRA1DADRA1B
SCHEMBL14511564 0.87 ADRA1A (1.00) ADRA1AMCHR1DRD2ADRA1DADRA1B
SCHEMBL6764196 0.85 ADRA1A (0.81) ADRA1AMCHR1DRD2ADRA1DADRA1B
Snap-7941 SCHEMBL5658585 0.84 ADRA1A (1.00) ADRA1AMCHR1DRD2ADRA1DADRA1B
SCHEMBL6710985 0.83 ADRA1A (0.71) ADRA1AMCHR1DRD2ADRA1DADRA1B
SCHEMBL7967692 0.83 ADRA1A (0.71) ADRA1AADRA1DADRA1B
SCHEMBL7681103 0.83 ADRA1A (0.71) ADRA1AMCHR1DRD2ADRA1DADRA1B
Hydrochloric Acid SCHEMBL6848930 0.83 ADRA1A (0.70) ADRA1AMCHR1DRD2ADRA1DADRA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3260446-A1 ENANTIOSELECTIVE SYNTHESIS OF DIHYDROPYRIMIDINONES AND HEXAHYDROPYRIMIDINONES Universitat de les Illes Balears (ES) 2017-12-27 EP disclosed
US-20040138242-A1 Dihydropyrimidines and uses thereof MERCK AND CO., INC. 2004-07-15 US disclosed
US-6680323-B2 SELECTIVE ANTAGONISTS FOR HUMAN ALPHA 1A RECEPTORS; BENIGN PROSTATIC HYPERPLASIA; (+)-1-3-((4-(3,4-DIFLUOROPHENYL)-2,5-DIOXO-1,2,5,7-TETRAHYDRO-4H-FURO(3,4 -D)PYRIMIDINE-3-CARBONYL)AMINO)-PROPYL-4-(2-PYRIDYL)-PIPERIDINE SYNAPTIC PHARMACEUTICAL CORPORATION 2004-01-20 US disclosed
US-20010041707-A1 Dihydropyrimidines and uses thereof MERCK AND CO., INC 2001-11-15 US disclosed
US-6274585-B1 BENIGN PROSTATIC HYPERPLASIA TREATMENT SYNAPTIC PHARMACEUTICAL CORPORATION 2001-08-14 US 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-20040138242-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D ADRA1A 4/4885MCHR1 519/4885DRD2 691/4885
US-20010041707-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D ADRA1A 4/4885MCHR1 519/4885DRD2 691/4885

“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.