SCHEMBL6739040

SCHEMBL6739040

COc1cc2oc(=O)c(C)c(C)c2cc1OCCCN1CCN(c2cccc3cccnc23)CC1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 2/20 0.50
DRD2 P14416 2/20 0.50
HTR2A P28223 1/20 0.50
ADRA1A P35348 1/20 0.50
HTR6 P50406 1/20 0.50
DRD3 P35462 1/20 0.48
DNMT1 P26358 1/20 0.47
EHMT2 Q96KQ7 1/20 0.47
KCNH2 Q12809 1/20 0.47

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 SCHEMBL6952251 0.99 HTR7 (0.49) HTR7DRD2HTR2AADRA1AHTR6
Hydrochloric Acid SCHEMBL6740134 0.98 DRD2 (0.49) HTR7DRD2HTR2AADRA1AHTR6
SCHEMBL6955657 0.96 HTR7 (0.47) HTR7DRD2HTR2AADRA1AHTR6
SCHEMBL6734946 0.96 HTR7 (0.47) HTR7DRD2HTR2AADRA1AHTR6
Hydrochloric Acid SCHEMBL6951566 0.95 HTR7 (0.46) HTR7DRD2HTR2AADRA1AHTR6
Hydrochloric Acid SCHEMBL6730102 0.94 HTR7 (0.46) HTR7DRD2HTR2AADRA1AHTR6
SCHEMBL6955839 0.92 HTR2A (0.47) HTR7DRD2HTR2AADRA1AHTR6
SCHEMBL6735246 0.91 DRD2 (0.47) DRD2HTR2AADRA1ADRD3KCNH2
Hydrochloric Acid SCHEMBL6948459 0.90 DRD2 (0.47) HTR7DRD2HTR2AADRA1ADRD3
Hydrochloric Acid SCHEMBL6738843 0.90 DRD2 (0.46) HTR7DRD2HTR2AADRA1ADRD3

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
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

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 HTR7 24/4885DRD2 43/4885HTR2A 12/4885

“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.