SCHEMBL5863439

SCHEMBL5863439

CCOC(=O)c1ccccc1C1CN(C)CCN1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
ALDH1A1 P00352 5/20 0.43
HSD17B10 Q99714 3/20 0.43
TDP1 Q9NUW8 2/20 0.42
HTT P42858 1/20 0.42
HPGD P15428 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CHRNB2 P17787 1/20 0.41
CHRNB4 P30926 1/20 0.41
CHRNA3 P32297 1/20 0.41
CHRNA4 P43681 1/20 0.41
KDM4E B2RXH2 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40
PKM P14618 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40

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
SCHEMBL28353512 0.80 TSHR (0.57) TSHRALDH1A1HSD17B10TDP1HTT
SCHEMBL27744984 0.76 L3MBTL1 (0.42) TSHRALDH1A1L3MBTL1KDM4EALOX12
Acetic Acid SCHEMBL8435104 0.76 TSHR (0.48) TSHRALDH1A1HSD17B10TDP1HTT
SCHEMBL25240045 0.74 HTR2C (0.42) ALDH1A1
SCHEMBL25282803 0.74 HTR2C (0.42) ALDH1A1
SCHEMBL16752384 0.71 TSHR (0.65) TSHRALDH1A1HSD17B10TDP1L3MBTL1
SCHEMBL3676421 0.71 TSHR (0.56) TSHRALDH1A1HSD17B10TDP1HTT
SCHEMBL5386421 0.70 TSHR (0.62) TSHRALDH1A1HSD17B10TDP1L3MBTL1
SCHEMBL25236332 0.70 GSK3B (0.48) TSHRALDH1A1HSD17B10HTTCYP3A4
SCHEMBL5863445 0.69 TSHR (0.45) TSHRALDH1A1HSD17B10TDP1HTT

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7030120-B2 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same MEIJI SEIKA KAISHA, LTD. (JP) 2006-04-18 US disclosed
US-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same OHKURA NAOTO (JP) 2004-11-11 US disclosed
US-6777414-B1 INHIBITORS OF TRIGLYCERIDE BIOSYNTHESIS AND SECRETION OF APOLIPOPROTEIN B-CONTAINING LIPOPROTEINS; ARTERIOSCLEROTIC DISEASES; HYPERLIPIDEMIA MEIJI SEIKA KAISHA, LTD. (JP) 2004-08-17 US disclosed
EP-1180514-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS AND BENAMIDE COMPOUNDS AND DRUGS CONTAINING THE SAME MEIJI SEIKA KAISHA LTD. (JP) 2002-02-20 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 (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-20040224959-A1 Nitrogen-containing heterocyclic compounds and benzamide compounds and drugs containing the same APOB, NCEH1, LIPC TSHR 1383/4885ALDH1A1 1345/4885HSD17B10 345/4885

“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.