SCHEMBL6775127

SCHEMBL6775127

CCn1cc(C)c2c1C(O)CCN(CCCN1CCN(c3ccc(F)cc3)CC1)C2=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.42
MAPT P10636 2/20 0.42
KMT2A Q03164 2/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MAPK1 P28482 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
CYP2D6 P10635 2/20 0.40
CYP2C9 P11712 2/20 0.40
ALDH1A1 P00352 1/20 0.40
DRD2 P14416 1/20 0.39
DRD4 P21917 1/20 0.39
HTR7 P34969 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL6775526 0.92 HTR7 (0.43) MAPTKDM4ELMNAALDH1A1DRD2
SCHEMBL6774744 0.91 DRD2 (0.45) KDM4EDRD2DRD4HTR7HTR2A
SCHEMBL6773921 0.91 HTR1A (0.44) MAPTHTTLMNAALDH1A1DRD2
SCHEMBL6653693 0.90 DRD2 (0.43) MEN1MAPTKMT2AHTTNPSR1
SCHEMBL6776122 0.89 MEN1 (0.41) MEN1MAPTKMT2AHTTNPSR1
SCHEMBL6775730 0.89 HTR1A (0.44) MEN1KMT2AHTTMAPK1KDM4E
SCHEMBL6775741 0.88 HTR7 (0.41) MEN1MAPTKMT2AHTTNPSR1
SCHEMBL6774449 0.83 KDM4E (0.44) MEN1MAPTKMT2AHTTNPSR1
SCHEMBL6774114 0.82 DRD3 (0.45) MAPK1KDM4ELMNADRD2SIGMAR1
SCHEMBL6774150 0.82 SLC6A2 (0.43) MAPTHTTLMNAALDH1A1DRD2

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 MEN1 2918/4885MAPT 2353/4885KMT2A 1171/4885
US-20030166926-A1 Pyrroloazepine derivatives TPH2, HTR2A, HTR2C MEN1 2906/4885MAPT 2226/4885KMT2A 1150/4885

“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.