SCHEMBL6769579

SCHEMBL6769579

O=C1CCN(CCCCl)C(=O)c2ccn(-c3ccccc3)c21

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 15/20 0.36
DRD1 P21728 7/20 0.36
DRD2 P14416 6/20 0.36
HTR1A P08908 1/20 0.36
DRD5 P21918 1/20 0.36
GRM5 P41594 1/20 0.36
HTR7 P34969 1/20 0.36
HRH3 Q9Y5N1 2/20 0.34
ACHE P22303 1/20 0.34
DRD4 P21917 2/20 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
SCHEMBL6774193 0.82 ACHE (0.40) DRD3DRD1DRD2GRM5ACHE
SCHEMBL6621027 0.81 DRD3 (0.34) DRD3DRD1DRD2HTR1AGRM5
SCHEMBL6774642 0.79 DRD3 (0.49) DRD3DRD1DRD2HTR1ADRD5
SCHEMBL6773167 0.78 GRM5 (0.35) DRD3DRD1DRD2GRM5HRH3
SCHEMBL6769602 0.78 DRD3 (0.38) DRD3DRD1DRD2HTR1ADRD5
SCHEMBL6774144 0.77 DRD3 (0.36) DRD3DRD1DRD2HTR1AGRM5
SCHEMBL7000263 0.75 MDM2 (0.39) ACHE
SCHEMBL3289766 0.73 DRD3 (0.47) DRD3DRD1DRD2HTR1AHTR7
SCHEMBL6996046 0.73 KDM4E (0.33) DRD3DRD1DRD2HTR1AGRM5
SCHEMBL6771012 0.72 DRD3 (0.54) DRD3DRD1DRD2HTR1ADRD5

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 14 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-6452000-B2 ALKYLATION; ACYLATION; CYCLIZATION; IMINATION; USEFUL AS HIV PROTEASE INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-17 US disclosed
US-20020072515-A1 Pyrroloazepine derivatives SUNTORY LIMITED (JP) 2002-06-13 US disclosed
US-20010020093-A1 Preparation of asymmetric cyclic ureas through a monoacylated diamine intermeidate BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-09-06 US disclosed
US-6258805-B1 TREATMENT OF BRAIN DISORDERS AND HYPERTENSION SUNTORY LIMITED (JP) 2001-07-10 US disclosed
US-6218534-B1 Preparation of asymmetric cyclic ureas through a monoacylated diamine intermediate DUPONT PHARMACEUTICALS COMPANY 2001-04-17 US disclosed
EP-1025092-A2 PREPARATION OF ASYMMETRIC CYCLIC UREAS THROUGH A MONOACYLATED DIAMINE INTERMEDIATE Du Pont Pharmaceuticals Company (US) 2000-08-09 EP disclosed
US-5962448-A Pyrroloazepine derivatives SUNTORY LIMITED (JP) 1999-10-05 US disclosed
WO-1999018085-A2 PREPARATION OF ASYMMETRIC CYCLIC UREAS THROUGH A MONOACYLATED DIAMINE INTERMEDIATE Britol-Myers Squibb Pharma Company (US) 1999-04-15 WO disclosed
US-4766248-A FLUOROPOLYMER INTERMEDIATES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1988-08-23 US disclosed
US-4576752-A ION EXCHANGE RESINS, FOAMS, MOLDING MATERIALS, AZIDES E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-03-18 US disclosed
US-4395521-A Process for curing thermoset resins using phenyl esters of carboxylic acids as latent catalysts UNION CARBIDE CORPORATION (US) 1983-07-26 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 (3 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 165/4885DRD1 141/4885DRD2 34/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD3 173/4885DRD1 145/4885DRD2 34/4885
US-20010020093-A1 Preparation of asymmetric cyclic ureas through a monoacylated diamine intermeidate IMPDH1, IDE, DIMT1 DRD3 2213/4885DRD1 1287/4885DRD2 2852/4885

“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.