SCHEMBL6779847

SCHEMBL6779847

Cc1cn(Cc2ccccc2)c2c1C(=O)N(CCCN1CCN(c3ccc(F)cc3)CC1)CCC2

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.46
HTR7 P34969 1/20 0.46
HTR6 P50406 1/20 0.46
DRD3 P35462 5/20 0.46
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
DRD2 P14416 1/20 0.41
DRD4 P21917 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL6769923 0.94 DRD3 (0.47) HTR1AHTR7HTR6DRD3ADRA1B
SCHEMBL7494590 0.92 DRD3 (0.48) HTR1AHTR7DRD3ADRA1DADRA1A
SCHEMBL6770050 0.91 DRD3 (0.46) HTR1AHTR7DRD3ADRA1BDRD2
SCHEMBL6774114 0.88 DRD3 (0.45) HTR1ADRD3ADRA1BDRD2KDM4E
SCHEMBL6772962 0.85 DRD3 (0.47) HTR1ADRD3ADRA1BDRD2DRD4
SCHEMBL6774416 0.84 DRD3 (0.48) HTR1AHTR7DRD3ADRA1BDRD2
SCHEMBL6775730 0.84 HTR1A (0.44) HTR1AHTR7HTR6ADRA1DADRA1A
SCHEMBL6775163 0.83 DRD3 (0.47) HTR1ADRD3ADRA1AADRA1BDRD2
SCHEMBL6779374 0.83 DRD3 (0.50) HTR1AHTR7HTR6DRD3ADRA1D
SCHEMBL6775556 0.82 HTR1A (0.43) HTR1AHTR7HTR6DRD3ADRA1D

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 7 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
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 HTR1A 6/4885HTR7 39/4885HTR6 19/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C HTR1A 7/4885HTR7 44/4885HTR6 22/4885

“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.