SCHEMBL5370733

SCHEMBL5370733

COc1ccc2c(n1)CC(=O)N2CCCBr

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.35
DRD2 P14416 3/20 0.35
DRD3 P35462 2/20 0.35
DRD5 P21918 1/20 0.35
BMPR1B O00238 1/20 0.32
BMPR1A P36894 1/20 0.32
TGFBR1 P36897 1/20 0.32
ACVRL1 P37023 1/20 0.32
ACVR1 Q04771 1/20 0.32
HTR2A P28223 1/20 0.31
MCHR1 Q99705 1/20 0.31
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 0.31
REN P00797 1/20 0.31
HTR4 Q13639 1/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31

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
SCHEMBL5372018 0.87 BMPR1B (0.39) HTR7DRD2DRD3DRD5BMPR1B
SCHEMBL1150252 0.69 HPGD (0.46) DRD3MEN1CYP1A2CYP2C9CYP2C19
SCHEMBL6073495 0.67 CYP11B2 (0.42) CYP1A2
SCHEMBL4223959 0.66 CHRM1 (0.52) DRD2DRD3CYP1A2
SCHEMBL20095575 0.65 CYP11B2 (0.38) BMPR1BBMPR1ATGFBR1ACVRL1ACVR1
SCHEMBL4230639 0.63 CHRM1 (0.52) DRD2DRD3
SCHEMBL1763944 0.62 CHRM1 (0.52) DRD2DRD3
SCHEMBL8317220 0.61 OPRM1 (0.42) HTR7DRD2DRD3DRD5HDAC1
SCHEMBL1436304 0.60 DRD2 (0.43) DRD2DRD3HTR2AMTNR1AMTNR1B
SCHEMBL9049355 0.60 HTR7 (0.63) HTR7DRD2DRD3DRD5HTR1A

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-7235550-B2 Polycyclic azaindole compounds LES LABORATOIRES SERVIER (FR) 2007-06-26 US disclosed
US-6667304-B2 Affinity for melatonin receptors; sleep disorders; N-(2-(2-methoxy-6H-pyrido(2',3':4,5)pyrrolo(2,1-a)isoindol-11 -yl)ethyl)acetamide; N-(2-(3-methoxy-6,7,8,9-tetrahydropyrido (3,2-b)indolizin-5-yl) ethyl)acetamide LES LABORATOIRES SERVIER (FR) 2003-12-23 US disclosed
US-20030134847-A1 New polycyclic azaindole compounds GUILLAUMET GERALD (FR) 2003-07-17 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 (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-20030134847-A1 New polycyclic azaindole compounds AZI2, DRD3, CCNI HTR7 326/4885DRD2 7/4885DRD3 2/4885
US-20030105087-A1 For therapy of melatoninergic disorders MTNR1A, MTNR1B, TPH1 HTR7 61/4885DRD2 100/4885DRD3 76/4885

“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.