SCHEMBL6735246

SCHEMBL6735246

COc1cc2oc(=O)c(C)c(C)c2cc1OCCCN1CCN(c2cccc3ccc(C)nc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.47
HTR2A P28223 2/20 0.47
ADRA1A P35348 1/20 0.47
DRD3 P35462 1/20 0.47
SLC6A4 P31645 2/20 0.45
SLC6A2 P23975 1/20 0.45
KCNH2 Q12809 1/20 0.45
ABCB1 P08183 1/20 0.45
ABCC1 P33527 1/20 0.45
HTR2C P28335 1/20 0.44

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 SCHEMBL6948459 0.99 DRD2 (0.47) DRD2HTR2AADRA1ADRD3SLC6A4
Hydrochloric Acid SCHEMBL6738843 0.98 DRD2 (0.46) DRD2HTR2AADRA1ADRD3SLC6A4
SCHEMBL6954016 0.96 DRD2 (0.45) DRD2HTR2AADRA1ADRD3SLC6A4
SCHEMBL6736538 0.96 ABCB1 (0.44) DRD2HTR2AADRA1ADRD3SLC6A4
Hydrochloric Acid SCHEMBL6944579 0.95 ABCB1 (0.44) DRD2HTR2AADRA1ADRD3KCNH2
Hydrochloric Acid SCHEMBL6740408 0.94 ABCB1 (0.43) DRD2HTR2AADRA1ADRD3KCNH2
SCHEMBL6955005 0.92 PDE3B (0.43) DRD2HTR2AADRA1ADRD3KCNH2
SCHEMBL6739040 0.91 HTR7 (0.50) DRD2HTR2AADRA1ADRD3KCNH2
Hydrochloric Acid SCHEMBL6952251 0.90 HTR7 (0.49) DRD2HTR2AADRA1ADRD3
Hydrochloric Acid SCHEMBL6740134 0.89 DRD2 (0.49) DRD2HTR2AADRA1ADRD3SLC6A4

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 6 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
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 claimed
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 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 43/4885HTR2A 12/4885ADRA1A 14/4885

“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.