SCHEMBL6775556

SCHEMBL6775556

COC1CCN(CCCN2CCN(c3ccc(F)cc3)CC2)C(=O)c2c(C)cn(Cc3ccccc3)c21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.43
HTR7 P34969 2/20 0.43
HTR6 P50406 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1A P35348 1/20 0.41
ADRA1B P35368 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
DRD3 P35462 3/20 0.40
ABCB1 P08183 1/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
LMNA P02545 1/20 0.40
CHRM4 P08173 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
SCHEMBL6773622 0.94 SLC6A2 (0.42) HTR1AHTR7HTR6DRD3ALDH1A1
SCHEMBL6775588 0.93 DRD4 (0.43) HTR1AHTR7DRD3ALDH1A1
SCHEMBL6770330 0.93 SLC6A2 (0.47) HTR1AHTR7DRD3
SCHEMBL6775730 0.90 HTR1A (0.44) HTR1AHTR7HTR6SMN1; SMN2ADRA1D
SCHEMBL6776122 0.89 MEN1 (0.41) HTR7SMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL6775741 0.88 HTR7 (0.41) HTR1AHTR7SMN1; SMN2CYP2D6CYP2C9
SCHEMBL6775060 0.86 DRD2 (0.42) HTR7SMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL6773415 0.85 DRD3 (0.45) HTR1AHTR7HTR6ADRA1DADRA1A
SCHEMBL6775815 0.85 DRD2 (0.44) HTR1AHTR7CYP2D6CYP2C9DRD3
SCHEMBL6774150 0.84 SLC6A2 (0.43) HTR1AHTR7HTR6ADRA1DADRA1A

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.