SCHEMBL5637808

SCHEMBL5637808

C=CCN(C)CCCCCc1ccc2c(c1)CCN2C(=O)Nc1ccc2ccccc2c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.43
NPC1 O15118 6/20 0.43
RAB9A P51151 6/20 0.43
MAPT P10636 5/20 0.43
NFKB1 P19838 4/20 0.43
NFKB2 Q00653 4/20 0.43
RELA Q04206 4/20 0.43
PKM P14618 3/20 0.43
SIGMAR1 Q99720 1/20 0.41
TP53 P04637 3/20 0.40
HTR2C P28335 3/20 0.40
MAOB P27338 1/20 0.39
ALOX5 P09917 1/20 0.39
EPHX2 P34913 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39
HTR2A P28223 2/20 0.38

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
SCHEMBL5638204 0.89 TP53 (0.49) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL6400266 0.88 MAPT (0.46) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL6404170 0.88 LSS (0.43) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL5637812 0.87 KDM4E (0.41) MAPTNFKB1TP53ALDH1A1LMNA
SCHEMBL6404049 0.87 RAB9A (0.40) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL6400584 0.87 MAPT (0.51) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL5638776 0.86 LSS (0.47) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL5637880 0.82 LSS (0.46) MAPTTP53MEN1ALDH1A1LMNA
SCHEMBL5637681 0.82 LSS (0.40) SMN1; SMN2NPC1RAB9AMAPTNFKB1
SCHEMBL6403158 0.81 LSS (0.40) RAB9AMAPTTP53HTR2CLMNA

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-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
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives F. HOFFMANN-LA ROCHE AG (CH) 2003-01-02 US 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 SMN1; SMN2 4761/4885NPC1 171/4885RAB9A 1287/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 SMN1; SMN2 4761/4885NPC1 171/4885RAB9A 1287/4885

“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.