SCHEMBL7072937

SCHEMBL7072937

Nc1ccc2[nH]c3cc(OCCNc4ccccc4CCO)ccc3c2c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.36
MAOA P21397 2/20 0.35
HTR1A P08908 5/20 0.35
HTR1B P28222 5/20 0.35
HTR1D P28221 4/20 0.35
MTNR1A P48039 2/20 0.34
MTNR1B P49286 2/20 0.34
KDM4E B2RXH2 3/20 0.33
ALDH1A1 P00352 2/20 0.33
HPGD P15428 2/20 0.33
CTSV O60911 1/20 0.33
CTSL P07711 1/20 0.33
CDK4 P11802 1/20 0.33
CCND1 P24385 1/20 0.33
PARP1 P09874 1/20 0.33
EGFR P00533 1/20 0.32
IGF1R P08069 1/20 0.32
POLB P06746 1/20 0.32
LTA4H P09960 1/20 0.32
PLA2G2A P14555 1/20 0.32

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
SCHEMBL7781300 0.91 NR1I2 (0.33) KIF11MAOAHTR1AHTR1BHTR1D
SCHEMBL6905932 0.90 CTSV (0.41) KIF11MAOAKDM4EALDH1A1HPGD
SCHEMBL7070543 0.83 MTNR1A (0.50) KIF11MAOAMTNR1AMTNR1BKDM4E
SCHEMBL7779242 0.82 MTNR1A (0.38) MAOAMTNR1AMTNR1BKDM4EALDH1A1
SCHEMBL7072940 0.81 KIF11 (0.35) KIF11MAOAKDM4EALDH1A1HPGD
SCHEMBL7070291 0.80 ADRB2 (0.38) HTR1AKDM4EALDH1A1HPGDPOLB
SCHEMBL7977146 0.77 TP53 (0.38) KDM4EALDH1A1HPGDPARP1EGFR
SCHEMBL7160495 0.77 ADRB2 (0.31)
SCHEMBL7068692 0.76 ADRB2 (0.39) HTR1AKDM4EALDH1A1HPGDPOLB
SCHEMBL7983970 0.76 EGFR (0.49) HTR1BHTR1DEGFRIGF1R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0882707-B1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME ASAHI CHEMICAL IND (JP) 2003-10-08 EP disclosed
US-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 2003-07-24 US disclosed
US-20030073644-A1 Combinations comprising a beta-agonist and a further antidiabetic agent SMITHKLINE BEECHAM P.L.C. 2003-04-17 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 (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-20030139475-A1 Novel tricyclic compounds and drug compositions containing same ADRB3, MC2R, NR3C1 KIF11 4828/4885MAOA 710/4885HTR1A 111/4885
US-20030073644-A1 Combinations comprising a beta-agonist and a further antidiabetic agent ADRB1, ADRB2, ADRB3 KIF11 4521/4885MAOA 1447/4885HTR1A 628/4885

“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.