SCHEMBL1022929

SCHEMBL1022929

CN1[C@@H]2CC[C@H]1C[C@@H](Oc1ccc(N3CCc4cc(O)ccc4C3=O)cc1Cl)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 4/20 0.36
HTR3E A5X5Y0 1/20 0.36
GMNN O75496 1/20 0.36
HTR3B O95264 1/20 0.36
CYP1A2 P05177 1/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
MTOR P42345 1/20 0.36
HTR3A P46098 1/20 0.36
PMP22 Q01453 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.36
CYP2C19 P33261 1/20 0.36
GAA P10253 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTR2C P28335 1/20 0.35
KMT2A Q03164 1/20 0.35

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
SCHEMBL1022381 1.00 CYP2D6 (0.36) CYP2D6HTR3EGMNNHTR3BCYP1A2
SCHEMBL1022379 1.00 CYP2D6 (0.36) CYP2D6HTR3EGMNNHTR3BCYP1A2
SCHEMBL1023791 0.89 HRH3 (0.38) CYP2D6HTR2C
SCHEMBL1023790 0.89 HRH3 (0.38) CYP2D6HTR2C
SCHEMBL12955428 0.88 UGCG (0.36) CYP2D6HTR3EGMNNHTR3BCYP1A2
SCHEMBL13903295 0.88 CYP2D6 (0.39) CYP2D6HTR3EGMNNHTR3BCYP1A2
SCHEMBL13903175 0.87 HRH3 (0.43) CYP2D6NR1H4OPRK1
SCHEMBL1026471 0.87 HRH3 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1026470 0.87 HRH3 (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL13903281 0.86 HRH3 (0.42) CYP2D6CYP1A2TSHRCYP2C19

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-8501771-B2 Aminoalcohol-substituted aryldihydroisoquinolinones, process for their preparation and their use as medicaments SANOFI (FR) 2013-08-06 US disclosed
EP-1987006-B1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI AVENTIS (FR) 2011-01-12 EP disclosed
US-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (FR) 2009-03-26 US disclosed
EP-1987006-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS Sanofi-Aventis (FR) 2008-11-05 EP disclosed
WO-2007093366-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS SANOFI-AVENTIS (DE) 2007-08-23 WO 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-20090082391-A1 NOVEL AMINOALCOHOL-SUBSTITUTED ARYLDIHYDROISOQUINOLINONES, PROCESS FOR THEIR PREPARATION AND THEIR USE AS MEDICAMENTS MCHR1, AHR, MCHR2 CYP2D6 91/4885HTR3E 161/4885GMNN 3991/4885

“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.