SCHEMBL6769602

SCHEMBL6769602

O=C1CCN(CCCCl)C(=O)c2cn(-c3ccccc3)cc21

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 15/20 0.38
DRD2 P14416 6/20 0.38
HTR1A P08908 1/20 0.38
DRD5 P21918 1/20 0.38
DRD1 P21728 8/20 0.37
GRM5 P41594 1/20 0.37
HTR7 P34969 1/20 0.37
ACHE P22303 1/20 0.35
DRD4 P21917 1/20 0.35
HRH3 Q9Y5N1 1/20 0.34

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
SCHEMBL6780135 0.81 DRD3 (0.34) DRD3DRD2DRD1GRM5DRD4
SCHEMBL3289766 0.78 DRD3 (0.47) DRD3DRD2HTR1ADRD1HTR7
SCHEMBL6769579 0.78 DRD3 (0.36) DRD3DRD2HTR1ADRD5DRD1
SCHEMBL7000263 0.72 MDM2 (0.39) ACHE
SCHEMBL6774193 0.72 ACHE (0.40) DRD3DRD2DRD1GRM5ACHE
SCHEMBL1039709 0.70 DRD3 (0.63) DRD3DRD2DRD1ACHEDRD4
SCHEMBL6996046 0.69 KDM4E (0.33) DRD3DRD2HTR1ADRD1GRM5
SCHEMBL6621027 0.69 DRD3 (0.34) DRD3DRD2HTR1ADRD1GRM5
SCHEMBL1037156 0.69 DRD3 (0.62) DRD3DRD2DRD1ACHEDRD4
SCHEMBL10978638 0.67 DRD3 (0.34) DRD3DRD2DRD1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713634-B2 SEROTONIN RECEPTOR ANTAGONIST DAIICHI SUNTORY PHARMA CO., LTD. (JP) 2004-03-30 US disclosed
US-20030166926-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 2003-09-04 US disclosed
US-6489473-B2 FOR THERAPY AND PROPHYLAXIS OF ISCHEMIC HEART DISEASES SUCH AS ANGINA PECTORIS, ARRHYTHMIA, MYOCARDIAL INFARCTION, CONGESTIVE HEART FAILURE, CEREBRAL INFARCTION AND CEREBRAL SEQUELAE AFTER SUBARACHNOID HEMORRHAGE, HYPERTENSION SUNTORY LIMITED (JP) 2002-12-03 US disclosed
US-20020072515-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 2002-06-13 US disclosed
EP-0807632-B1 PYRROLOAZEPINE DERIVATIVES SUNTORY LTD (JP) 2002-04-17 EP disclosed
US-6258805-B1 TREATMENT OF BRAIN DISORDERS AND HYPERTENSION SUNTORY LIMITED (JP) 2001-07-10 US disclosed
US-5962448-A Pyrroloazepine derivatives SUNTORY LIMITED (JP) 1999-10-05 US disclosed
EP-0807632-A1 PYRROLOAZEPINE DERIVATIVES SUNTORY LIMITED (JP) 1997-11-19 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 (2 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-20020072515-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD3 165/4885DRD2 34/4885HTR1A 6/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD3 173/4885DRD2 34/4885HTR1A 7/4885

“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.