SCHEMBL6775730

SCHEMBL6775730

Cc1cn(Cc2ccccc2)c2c1C(=O)N(CCCN1CCN(c3ccc(F)cc3)CC1)CCC2O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.44
HTR7 P34969 2/20 0.44
HTR6 P50406 1/20 0.44
ADRA1D P25100 1/20 0.42
ADRA1A P35348 1/20 0.42
ADRA1B P35368 1/20 0.42
SMN1; SMN2 Q16637 2/20 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
KDM4E B2RXH2 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.41
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL6774150 0.94 SLC6A2 (0.43) HTR1AHTR7HTR6ADRA1DADRA1A
SCHEMBL6770176 0.92 SLC6A2 (0.48) HTR1AHTR7ADRA1DADRA1AADRA1B
SCHEMBL6780078 0.92 DRD4 (0.44) HTR1AHTR7ALDH1A1HTR2AHTR2C
SCHEMBL6775556 0.90 HTR1A (0.43) HTR1AHTR7HTR6ADRA1DADRA1A
SCHEMBL6775127 0.89 MEN1 (0.42) HTR7SMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL6653693 0.86 DRD2 (0.43) HTR1ASMN1; SMN2CYP3A4CYP2D6CYP2C9
SCHEMBL6773921 0.85 HTR1A (0.44) HTR1AHTR7ALDH1A1HTTLMNA
SCHEMBL6773622 0.84 SLC6A2 (0.42) HTR1AHTR7HTR6ALDH1A1HTT
SCHEMBL6779847 0.84 HTR1A (0.46) HTR1AHTR7HTR6ADRA1DADRA1A
SCHEMBL6775803 0.84 ADRA1D (0.46) 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.