SCHEMBL6741310

SCHEMBL6741310

COc1cc2oc(=O)c(C)c(C)c2cc1OCCN1CCN(c2cccc3[nH]ccc23)CC1

nearest known ligand 0.68

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.45
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
GAA P10253 1/20 0.44
HTR2A P28223 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
KCNH2 Q12809 1/20 0.42
SRC P12931 1/20 0.42
PDK1 Q15118 1/20 0.42
PDK2 Q15119 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
Hydrochloric Acid SCHEMBL6740776 0.99 DRD2 (0.44) DRD2ABCB1ABCC1GAAHTR2A
SCHEMBL6735944 0.96 DRD2 (0.48) DRD2ABCB1ABCC1HTR2AADRA1A
Hydrochloric Acid SCHEMBL7135451 0.95 DRD2 (0.47) DRD2ABCB1ABCC1HTR2AADRA1A
Hydrochloric Acid SCHEMBL6731224 0.94 DRD2 (0.47) DRD2ABCB1ABCC1HTR2AADRA1A
SCHEMBL6734946 0.81 HTR7 (0.47) DRD2ABCB1ABCC1HTR2AADRA1A
Ensaculin SCHEMBL677971 0.81 HTR2A (0.63) DRD2HTR2AADRA1AKCNH2
Ensaculin SCHEMBL29722503 0.81 HTR2A (0.63) DRD2HTR2AADRA1AKCNH2
Hydrochloric Acid SCHEMBL6951566 0.81 HTR7 (0.46) DRD2ABCB1ABCC1HTR2AADRA1A
SCHEMBL6736538 0.81 ABCB1 (0.44) DRD2ABCB1ABCC1HTR2AADRA1A
SCHEMBL17343106 0.81 ALDH1A1 (0.58) DRD2HTR2AADRA1ADRD3KCNH2

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-20040014768-A1 Chromenone derivatives and their use for treating diseases in conjunction with 5-hta1receptors and/or dopamine d2 receptors MERCK PATENT GMBH (DE) 2004-01-22 US claimed
US-20040014768-A1 Chromenone derivatives and their use for treating diseases in conjunction with 5-hta1receptors and/or dopamine d2 receptors MERCK PATENT GMBH (DE) 2004-01-22 US disclosed
EP-1311503-A1 CHROMENONE DERIVATIVES AND THEIR USE FOR TREATING DISEASES IN CONJUNCTION WITH 5-HTA1 RECEPTORS AND/OR DOPAMINE D2 RECEPTORS MERCK PATENT GmbH (DE) 2003-05-21 EP disclosed
WO-2002016354-A1 CHROMENONE DERIVATIVES AND THEIR USE FOR TREATING DISEASES IN CONJUNCTION WITH 5-HTA1 RECEPTORS AND/OR DOPAMINE D2 RECEPTORS MERCK PATENT GMBH (DE) 2002-02-28 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-20040014768-A1 Chromenone derivatives and their use for treating diseases in conjunction with 5-hta1receptors and/or dopamine d2 receptors HTR1A, HTR1D, HTR1E DRD2 43/4885ABCB1 1106/4885ABCC1 916/4885

“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.