SCHEMBL7094588

SCHEMBL7094588

COc1ccc2c(c1)c(CCN)cn2OC(=O)/C=C/C(=O)On1cc(CCN)c2cc(OC)ccc21

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.60
HTR6 P50406 7/20 0.52
MTNR1A P48039 3/20 0.46
MTNR1B P49286 2/20 0.46
NQO2 P16083 1/20 0.46
HSP90AA1 P07900 1/20 0.46
PPARG P37231 2/20 0.43
PPARD Q03181 2/20 0.43
PPARA Q07869 2/20 0.43
CYP1A2 P05177 1/20 0.42
HTR1A P08908 1/20 0.42
MAPT P10636 1/20 0.42
TSHR P16473 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR1D P28221 1/20 0.42
HTR1B P28222 1/20 0.42
HTR2A P28223 1/20 0.42
HTR2C P28335 1/20 0.42
HTR7 P34969 1/20 0.42
HTR4 Q13639 1/20 0.42

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
SCHEMBL6830010 0.85 ADRB2 (0.58) ADRB2HTR6MTNR1AMTNR1BNQO2
SCHEMBL25344812 0.84 HTR6 (0.47) ADRB2HTR6MTNR1AMTNR1BNQO2
SCHEMBL28310240 0.83 ADRB2 (0.65) ADRB2HTR6MTNR1AMTNR1BNQO2
SCHEMBL27343727 0.82 ADRB2 (0.72) ADRB2HTR6MTNR1AMTNR1BNQO2
SCHEMBL1320472 0.79 HTR1D (0.35) ADRB2HTR6HTR1AHTR1DHTR1B
SCHEMBL1971963 0.78 MTNR1A (0.72) ADRB2HTR6MTNR1AMTNR1BNQO2
SCHEMBL29194213 0.77 ADRB2 (0.72) ADRB2HTR6MTNR1AMTNR1BNQO2
SCHEMBL28121087 0.76 ADRB2 (0.67) ADRB2HTR6MTNR1AMTNR1BNQO2
Oxalic Acid SCHEMBL27614859 0.76 ADRB2 (0.62) ADRB2HTR6MTNR1AMTNR1BNQO2
SCHEMBL1130016 0.75 ADRB2 (1.00) ADRB2HTR6MTNR1AMTNR1BNQO2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030114512-A1 Compounds with 5-ht2 and 5-ht1a agonist activity for treating glaucoma ALCON UNIVERSAL LTD. (CH) 2003-06-19 US disclosed
EP-1263434-A1 COMPOUNDS WITH 5-HT 2 AND 5-HT 1A AGONIST ACTIVITY FOR TREATING GLAUCOMA Alcon, Inc (CH) 2002-12-11 EP disclosed
WO-2001070223-A1 COMPOUNDS WITH 5-HT2 AND 5-HT1A AGONIST ACTIVITY FOR TREATING GLAUCOMA ALCON, INC. (CH) 2001-09-27 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 (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-20030114512-A1 Compounds with 5-ht2 and 5-ht1a agonist activity for treating glaucoma HTR1A, HTR2A, HTR5A ADRB2 27/4885HTR6 16/4885MTNR1A 39/4885

“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.