SCHEMBL5637587

SCHEMBL5637587

OCCCC#Cc1cc2c(cc1F)NCC2

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.33
DRD4 P21917 1/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
OGA O60502 1/20 0.33
APP P05067 1/20 0.32
MAPK14 Q16539 1/20 0.32
GRM5 P41594 2/20 0.31
PGK1 P00558 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA2 Q15822 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
SCHEMBL9766914 0.74 KDM4E (0.42) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL550208 0.68 DRD2 (0.47) DRD2DRD4KDM4EALDH1A1MAPT
SCHEMBL20500278 0.68 CYP1A2 (0.41) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL31281486 0.68 CYP1A2 (0.41) KDM4EALDH1A1CYP1A2CYP3A4MAPT
Hydrochloric Acid SCHEMBL28923502 0.67 DRD2 (0.45) DRD2DRD4KDM4EALDH1A1MAPT
Hydrochloric Acid SCHEMBL30142473 0.67 DRD2 (0.45) DRD2DRD4KDM4EALDH1A1MAPT
SCHEMBL15022608 0.66 KDM4E (0.57) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL2797723 0.66 KDM4E (0.50) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL5638194 0.66 GPR84 (0.47) KDM4EALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL24411060 0.65 KDM4E (0.41) KDM4EALDH1A1CYP1A2CYP3A4MAPT

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-7102007-B2 Dihydroindole and tetrahydroquinoline derivatives HOFFMANN-LA ROCHE INC. (US) 2006-09-05 US disclosed
EP-1358162-B1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES HOFFMANN LA ROCHE (CH) 2006-02-08 EP disclosed
US-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives AEBI JOHANNES (CH) 2005-01-27 US disclosed
US-6706751-B2 ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS HOFFMAN-LA ROCHE INC. 2004-03-16 US disclosed
EP-1358162-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-11-05 EP disclosed
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 US disclosed
WO-2002050041-A1 DIHYDROINDOLE AND TETRAHYDROQUINOLINE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-06-27 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 (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-20050020624-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 DRD2 581/4885DRD4 1116/4885KDM4E 3656/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 DRD2 581/4885DRD4 1116/4885KDM4E 3656/4885

“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.