SCHEMBL6595328

SCHEMBL6595328

CCOc1ccccc1OCCN(C(=O)OC(C)(C)C)[C@H](C)Cc1cc2c(c(C(N)=O)c1)N(CCCOC(=O)C(C)(C)C)CC2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 20/20 0.51
ADRA1A P35348 20/20 0.51
ADRA1B P35368 20/20 0.51
ADRB2 P07550 1/20 0.49
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
DRD2 P14416 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
DRD1 P21728 1/20 0.49
DRD4 P21917 1/20 0.49
PTGS1 P23219 1/20 0.49
HTR1D P28221 1/20 0.49
HTR1B P28222 1/20 0.49
HTR7 P34969 1/20 0.49
HRH1 P35367 1/20 0.49
OPRM1 P35372 1/20 0.49
DRD3 P35462 1/20 0.49
HTR2B P41595 1/20 0.49
SLC6A3 Q01959 1/20 0.49

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
SCHEMBL6595333 1.00 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL6590905 0.92 ADRA1D (0.61) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL6590902 0.92 ADRA1D (0.61) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL8537720 0.90 ADRA1D (0.55) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL6591167 0.90 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL6591171 0.90 ADRA1D (0.51) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL8538057 0.87 ADRA1D (0.48) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL8538446 0.86 ADRA1D (0.53) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL8544336 0.85 ADRA1D (0.44) ADRA1DADRA1AADRA1BADRB2HTR1A
SCHEMBL8539494 0.85 ADRA1D (0.70) ADRA1DADRA1AADRA1BADRB2HTR1A

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
US-20040235932-A1 Ophthalmic pharmaceutical compositions Outdoor Wireless Networks LLC 2004-11-25 US disclosed
EP-1415666-A1 MEDICINAL COMPOSITIONS FOR OPTHALMIC USE Kissei Pharmaceutical Co., Ltd. (JP) 2004-05-06 EP disclosed
EP-1057813-B1 INDOLE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-04-21 EP disclosed
US-6310086-B1 PREVENTION OR TREATMENT OF GLAUCOMA OR OCULAR HYPERTENSION KISSEI PHARMACEUTICAL CO., LTD. (JP) 2001-10-30 US disclosed
EP-1057813-A1 INDOLE DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2000-12-06 EP 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 (1 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-20040235932-A1 Ophthalmic pharmaceutical compositions ADRA1A, ADORA1, ADRA1D ADRA1D 3/4885ADRA1A 1/4885ADRA1B 5/4885

“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.