SCHEMBL5362970

SCHEMBL5362970

COc1ccc2c(ccn2CCc2ccccc2Br)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
NPSR1 Q6W5P4 2/20 0.40
HTT P42858 2/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
MET P08581 1/20 0.39
MTNR1A P48039 3/20 0.34
MTNR1B P49286 3/20 0.34
TAAR1 Q96RJ0 3/20 0.34
MAPT P10636 3/20 0.34
SMN1; SMN2 Q16637 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34
RELA Q04206 1/20 0.34
CDK4 P11802 2/20 0.33
CCND1 P24385 2/20 0.33
MAOB P27338 1/20 0.33

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
SCHEMBL5370826 0.93 MEN1 (0.39) MEN1KMT2ANPSR1HTTALDH1A1
SCHEMBL5361423 0.87 NPSR1 (0.47) MEN1KMT2ANPSR1HTTALDH1A1
SCHEMBL5370815 0.77 NTRK1 (0.39) MEN1KMT2AHTTALDH1A1MTNR1A
SCHEMBL24110592 0.76 MTNR1A (0.37) MTNR1AMTNR1B
SCHEMBL5369243 0.75 CDK4 (0.36) MEN1KMT2AHTTMTNR1AMTNR1B
SCHEMBL24109813 0.73 HTR2C (0.52) MTNR1AMTNR1B
SCHEMBL5369930 0.71 TSHR (0.40) TSHRSMN1; SMN2NPC1RAB9A
SCHEMBL5372929 0.71 MEN1 (0.42) MEN1KMT2ATSHRSMPD1
SCHEMBL5717559 0.68 MTNR1B (0.35) MTNR1AMTNR1B
SCHEMBL25296265 0.68 HTR2C (0.57)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7235550-B2 Polycyclic azaindole compounds LES LABORATOIRES SERVIER (FR) 2007-06-26 US disclosed
US-20030105087-A1 For therapy of melatoninergic disorders GUILLAUMET GERALD (FR) 2003-06-05 US disclosed
EP-1092717-B1 Polycyclic azaindole derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-01-08 EP disclosed
US-6495543-B1 TREATING OR PREVENTING MELATONINERGIC DISORDERS LES LABORATOIRES SERVIER (FR) 2002-12-17 US disclosed
EP-1092717-A2 Polycyclic azaindole derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2001-04-18 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 (1 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-20030105087-A1 For therapy of melatoninergic disorders MTNR1A, MTNR1B, TPH1 MEN1 600/4885KMT2A 865/4885NPSR1 93/4885

“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.