SCHEMBL5637812

SCHEMBL5637812

C=CCN(C)CCCCCc1ccc2c(c1)CCN2C(=O)Nc1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.41
MAPT P10636 4/20 0.41
USP2 O75604 2/20 0.41
TAAR1 Q96RJ0 1/20 0.41
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
TP53 P04637 2/20 0.39
LMNA P02545 3/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
NFKB1 P19838 1/20 0.38
HTR2B P41595 1/20 0.38
BLM P54132 1/20 0.38
PMP22 Q01453 1/20 0.38
ALOX15 P16050 1/20 0.38
MAPK1 P28482 1/20 0.38
POLB P06746 1/20 0.38
ADRB2 P07550 3/20 0.37
ADRB1 P08588 3/20 0.37
ADRB3 P13945 3/20 0.37

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
SCHEMBL5637808 0.87 SMN1; SMN2 (0.43) MAPTALDH1A1TP53LMNANFKB1
SCHEMBL5638783 0.87 LSS (0.46) KDM4EMAPTUSP2TAAR1ALDH1A1
SCHEMBL6403158 0.84 LSS (0.40) MAPTTP53LMNAHTR2BPOLB
SCHEMBL5638204 0.83 TP53 (0.49) KDM4EMAPTALDH1A1HSD17B10TP53
SCHEMBL6404170 0.82 LSS (0.43) MAPTTP53LMNANFKB1HTR2B
SCHEMBL6400266 0.82 MAPT (0.46) MAPTTP53LMNANFKB1HTR2B
SCHEMBL5637888 0.82 LSS (0.45) KDM4EMAPK1
SCHEMBL6399162 0.82 LMNA (0.53) MAPTTP53LMNA
SCHEMBL6404049 0.81 RAB9A (0.40) MAPTTP53LMNANFKB1MAPK1
SCHEMBL6400584 0.81 MAPT (0.51) MAPTTP53LMNANFKB1POLB

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 KDM4E 3656/4885MAPT 3562/4885USP2 3684/4885
US-20030004156-A1 Dihydroindole and tetrahydroquinoline derivatives CYP46A1, LSS, CYP51A1 KDM4E 3656/4885MAPT 3562/4885USP2 3684/4885

“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.