SCHEMBL5362997

SCHEMBL5362997

BrCCC1(c2ccccc2Br)OCCO1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.38
HTR2C P28335 1/20 0.38
ALDH1A1 P00352 1/20 0.32
CYP2A13 Q16696 1/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL11541996 0.85 HTR2C (0.40) HTR2AHTR2CALDH1A1CYP2A13LMNA
SCHEMBL3214592 0.80 KDM1A (0.36) HTR2AHTR2CALDH1A1CYP2A13LMNA
SCHEMBL7390254 0.76 L3MBTL1 (0.45) ALDH1A1SMN1; SMN2
Phosphine SCHEMBL9482786 0.74 L3MBTL1 (0.44) ALDH1A1SMN1; SMN2
SCHEMBL11543429 0.71 MAPT (0.41)
SCHEMBL9531677 0.70 MAPK1 (0.38) ALDH1A1SMN1; SMN2
SCHEMBL3203338 0.69 HTR2A (0.35) HTR2AHTR2CALDH1A1CYP2A13LMNA
SCHEMBL1168000 0.67 ALDH1A1 (0.37) HTR2AHTR2CALDH1A1LMNASMN1; SMN2
SCHEMBL11545255 0.66 ALDH1A1 (0.34) ALDH1A1CYP2A13LMNASMN1; SMN2
SCHEMBL4783521 0.66 L3MBTL1 (0.43) ALDH1A1SMN1; SMN2

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 HTR2A 134/4885HTR2C 23/4885ALDH1A1 196/4885
US-20030105087-A1 For therapy of melatoninergic disorders MTNR1A, MTNR1B, TPH1 HTR2A 29/4885HTR2C 20/4885ALDH1A1 252/4885

“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.