SCHEMBL6774919

SCHEMBL6774919

COC1CCN(CCN2CCN(c3ccc(F)cc3)CC2)C(=O)c2ccn(C)c21

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.44
DRD4 P21917 2/20 0.44
HTR1A P08908 6/20 0.41
LMNA P02545 2/20 0.41
GAA P10253 1/20 0.41
RXFP1 Q9HBX9 1/20 0.41
HTR2A P28223 5/20 0.41
ADRA1D P25100 2/20 0.39
ADRA1A P35348 2/20 0.39
ADRA1B P35368 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPK1 P28482 1/20 0.39
HTR2C P28335 1/20 0.39
HTR7 P34969 1/20 0.39
DRD3 P35462 2/20 0.39
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL6773304 0.94 DRD3 (0.46) DRD2DRD4LMNAHTR2AKDM4E
SCHEMBL6775985 0.94 DRD3 (0.46) DRD2DRD4LMNAHTR2AKDM4E
SCHEMBL6774796 0.88 HTR1A (0.42) DRD2DRD4HTR1ALMNAGAA
SCHEMBL6769479 0.85 DRD3 (0.47) DRD2DRD4HTR1AGAAHTR7
SCHEMBL6775252 0.85 KDM4E (0.43) DRD2LMNAKDM4EMAPK1DRD3
SCHEMBL7501229 0.84 DRD3 (0.58) DRD2DRD4HTR1AHTR2AHTR7
SCHEMBL6769511 0.84 DRD3 (0.49) DRD2DRD4HTR1AGAAHTR2A
SCHEMBL6776057 0.84 DRD3 (0.50) DRD2HTR1AHTR2AHTR7DRD3
SCHEMBL6775436 0.84 DRD3 (0.44) DRD2DRD4LMNAHTR2AKDM4E
SCHEMBL6774334 0.83 DRD3 (0.47) DRD2DRD4HTR1AHTR2AHTR7

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-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

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 DRD2 34/4885DRD4 152/4885HTR1A 6/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD2 34/4885DRD4 167/4885HTR1A 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.