SCHEMBL6710985

SCHEMBL6710985

COCC1=C(C(=O)OC)C(c2ccc(F)c(F)c2)N(N(C=O)CCCN2CCC(c3ccccn3)CC2)C(=O)N1

nearest known ligand 0.71

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 18/20 0.71
ADRA1D P25100 15/20 0.59
ADRA1B P35368 15/20 0.59
MCHR1 Q99705 3/20 0.51
DRD2 P14416 1/20 0.51

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
Hydrochloric Acid SCHEMBL6848930 0.99 ADRA1A (0.70) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL6729949 0.94 ADRA1A (0.63) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL6782417 0.94 ADRA1A (0.63) ADRA1AADRA1DADRA1BMCHR1DRD2
Hydrochloric Acid SCHEMBL6782195 0.94 ADRA1A (0.63) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL7640674 0.91 ADRA1A (0.59) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL6786565 0.91 ADRA1A (0.60) ADRA1AADRA1DADRA1BMCHR1DRD2
Hydrochloric Acid SCHEMBL6787204 0.91 ADRA1A (0.58) ADRA1AADRA1DADRA1B
SCHEMBL7528558 0.90 ADRA1A (0.58) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL6786410 0.90 ADRA1A (0.58) ADRA1AADRA1DADRA1BMCHR1DRD2
SCHEMBL6784855 0.90 ADRA1A (0.64) ADRA1AADRA1DADRA1BMCHR1DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6268369-B1 ALPHA SUB 1 INHIBITORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-07-31 US claimed
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof H. LUNDBECK A/S (DK) 2004-02-26 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-20020010186-A1 Dihydropyrimidines and uses thereof SYNAPTIC PHARMACEUTICAL CORPORATION 2002-01-24 US disclosed
US-6320049-B1 PREPARING 1-AMINOCARBONYL-5-ACYLDEHYDROPYRIMIDONES BY DEPROTONATING 5-ACYLDIHYDROPYRIMIDINONES COMPOUND AND THEN COUPLING THE DEPROTONATED DERIVATIVE WITH A PRIMARY AMINE MERCK & CO., INC. 2001-11-20 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
US-6268369-B1 ALPHA SUB 1 INHIBITORS SYNAPTIC PHARMACEUTICAL CORPORATION 2001-07-31 US disclosed
US-6245773-B1 BENIGN PROSTATIC HYPERPLAMIA; REDUCTION OF INTRAOCULAR PRESSURE SYNAPTIC PHARMACEUTICAL CORPORATION 2001-06-12 US disclosed
US-6207444-B1 CONTACTING RACEMIC COMPOUND WITH PROTEINASE K, SUBTILISIN, OR A PROTEASE ENZYME FROM METARHIZIUM TO FORM ENANTIOMORPH; CHEMICAL INTERMEDIATE OF DRUG WHICH TREATS BENIGN PROSTATIC HYPERPLASIA MERCK & CO., INC. 2001-03-27 US disclosed
WO-1996014846-A1 DIHYDROPYRIMIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1996-05-23 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 (3 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-20020010186-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D ADRA1A 4/4885ADRA1D 3/4885ADRA1B 9/4885
US-20040038855-A1 DNA encoding a human melanin concentrating hormone receptor (MCH1) and uses thereof MCHR1, MCHR2, MC1R ADRA1A 88/4885ADRA1D 100/4885ADRA1B 143/4885
US-20010041707-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D ADRA1A 4/4885ADRA1D 3/4885ADRA1B 9/4885

“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.