SCHEMBL6482544

SCHEMBL6482544

c1ccc2c(OCCOc3ccc4c5c3c3c(n5CCC4)CCNCC3)cccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.47
BCL2 P10415 1/20 0.46
TDP1 Q9NUW8 2/20 0.42
HRH3 Q9Y5N1 7/20 0.41
HTR2A P28223 6/20 0.41
HTR2C P28335 5/20 0.41
HTR7 P34969 2/20 0.41
HTR6 P50406 2/20 0.41
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.36
TP53 P04637 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C9 P11712 1/20 0.36
ALOX15 P16050 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 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
SCHEMBL6491392 0.87 TSHR (0.42) HRH3HTR2AHTR2CMEN1KMT2A
SCHEMBL6486177 0.86 HTR2C (0.41) MCL1BCL2TDP1HRH3HTR2A
SCHEMBL6492865 0.86 HTR2C (0.37) HRH3HTR2AHTR2CHTR7HTR6
SCHEMBL6484576 0.86 TDP1 (0.42) MCL1BCL2TDP1HRH3HTR2A
SCHEMBL6496852 0.86 KDM4E (0.37) MCL1BCL2TDP1HRH3HTR2A
SCHEMBL6493001 0.85 HRH3 (0.40) TDP1HRH3HTR2AHTR2CKDM4E
SCHEMBL6498263 0.84 KDM4E (0.42) TDP1MEN1KMT2AKDM4ETP53
SCHEMBL6486474 0.83 HTR2C (0.36) MCL1BCL2HRH3HTR2AHTR2C
SCHEMBL6481002 0.83 HTR2C (0.39) MCL1HRH3HTR2AHTR2CHTR7
SCHEMBL6482814 0.82 LTA4H (0.40) HRH3HTR2AHTR2C

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050282796-A1 Tetracyclic azepinoindole compounds PFIZER 2005-12-22 US claimed
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP claimed
US-20020198190-A1 Tetracyclic azepinoindole compounds PHARMACIA & UPJOHN COMPANY 2002-12-26 US claimed
US-20050282796-A1 Tetracyclic azepinoindole compounds PFIZER 2005-12-22 US disclosed
US-6875762-B2 Tetracyclic azepinoindole compounds PFIZER (US) 2005-04-05 US disclosed
EP-1173440-B1 TETRACYCLIC AZEPINOINDOLE COMPOUNDS AS 5-HT RECEPTOR LIGANDS UPJOHN CO (US) 2004-09-15 EP disclosed
US-20040138202-A1 Tetracyclic azepinoindole compounds PHARMACIA AND UPJOHN COMPANY 2004-07-15 US disclosed
US-20020198190-A1 Tetracyclic azepinoindole compounds PHARMACIA & UPJOHN COMPANY 2002-12-26 US disclosed
US-6407092-B1 5-HYDROXYTRYPTAMINE MODULATORS AND ANTISEROTONINE AGENTS; TREATING EATING, SEXUAL, SLEEP, NERVOUS SYSTEM, PSYCHOLOGICAL, AND GASTROINTESTINAL DISORDERS; ANTIDEPRESSANTS, ANXIOLYTIC AGENTS PHARMACIA & UPJOHN COMPANY 2002-06-18 US 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 (3 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-20050282796-A1 Tetracyclic azepinoindole compounds TBXA2R, NPY5R, AZI2 MCL1 972/4885BCL2 1430/4885TDP1 1839/4885
US-20040138202-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 MCL1 493/4885BCL2 1726/4885TDP1 881/4885
US-20020198190-A1 Tetracyclic azepinoindole compounds TPH1, AZI2, CYP1A2 MCL1 493/4885BCL2 1726/4885TDP1 881/4885

“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.