SCHEMBL6724706

SCHEMBL6724706

CC(C)(C)OC(=O)C1(c2ccccn2)CCNCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 1/20 0.42
HSD11B1 P28845 4/20 0.38
GPR119 Q8TDV5 1/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HSD17B10 Q99714 2/20 0.36
CYP1A2 P05177 1/20 0.36
MAPK1 P28482 2/20 0.35
MEN1 O00255 1/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
TSHR P16473 1/20 0.35
CYP2C19 P33261 1/20 0.35
KMT2A Q03164 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
GRM5 P41594 1/20 0.34
VNN1 O95497 1/20 0.34
KDM5A P29375 1/20 0.33

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
SCHEMBL24608781 0.88 HSD11B1 (0.42) HSD11B1GPR119ALDH1A1GRM5VNN1
SCHEMBL8808488 0.84 AKT1 (0.37) OPRM1HSD11B1GPR119ALDH1A1HPGD
SCHEMBL7421566 0.82 OPRM1 (0.65) OPRM1HSD17B10
SCHEMBL7426632 0.79 HSD11B1 (0.43) OPRM1HSD11B1ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL8353054 0.77 HSD11B1 (0.42) OPRM1HSD11B1ALDH1A1HPGDHSD17B10
SCHEMBL8636435 0.77 OPRM1 (0.44) OPRM1HSD11B1ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL6198508 0.76 OPRM1 (0.44) OPRM1HSD11B1ALDH1A1HPGDHSD17B10
Hydrochloric Acid SCHEMBL8352985 0.76 OPRM1 (0.44) OPRM1HSD11B1ALDH1A1HPGDHSD17B10
SCHEMBL23136323 0.76 AKT1 (0.42) OPRM1GPR119MAPK1MEN1CYP2D6
SCHEMBL16926658 0.76 SLC6A9 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 OPRM1 218/4885HSD11B1 1019/4885GPR119 97/4885
US-20010041707-A1 Dihydropyrimidines and uses thereof QDPR, DPYD, ADRA1D OPRM1 218/4885HSD11B1 1019/4885GPR119 97/4885

“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.