SCHEMBL6769942

SCHEMBL6769942

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

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.41
HTR7 P34969 3/20 0.41
ALDH1A1 P00352 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
POLB P06746 1/20 0.36
DRD2 P14416 3/20 0.36
DRD5 P21918 2/20 0.36
HTR1A P08908 1/20 0.36
HTR2A P28223 1/20 0.36

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
SCHEMBL6775060 0.92 DRD2 (0.42) DRD3HTR7ALDH1A1DRD2HTR2A
SCHEMBL6775815 0.90 DRD2 (0.44) DRD3HTR7ALDH1A1DRD2HTR1A
SCHEMBL6773004 0.89 HTR7 (0.43) DRD3HTR7ALDH1A1GAAMAPT
SCHEMBL6775588 0.86 DRD4 (0.43) DRD3HTR7ALDH1A1GAAMAPT
SCHEMBL6769479 0.83 DRD3 (0.47) DRD3HTR7ALDH1A1GAAMAPT
SCHEMBL6773923 0.83 DRD2 (0.41) ALDH1A1MAPTDRD2
SCHEMBL6774683 0.83 DRD3 (0.55) DRD3HTR7ALDH1A1DRD2DRD5
SCHEMBL6774557 0.82 DRD2 (0.43) DRD3HTR7GAADRD2DRD5
SCHEMBL6776122 0.82 MEN1 (0.41) DRD3HTR7ALDH1A1MAPTDRD2
SCHEMBL6780120 0.81 ABCB1 (0.42) DRD3HTR7DRD2HTR1AHTR2A

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 DRD3 165/4885HTR7 39/4885ALDH1A1 2580/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C DRD3 173/4885HTR7 44/4885ALDH1A1 2451/4885

“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.