SCHEMBL6769878

SCHEMBL6769878

CCOC(=O)C1CC(c2ccc(Cl)cc2)c2cc(Cl)ccc2N1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ABCC1 P33527 1/20 0.41
ALDH1A1 P00352 5/20 0.40
ALOX12 P18054 2/20 0.40
LMNA P02545 2/20 0.40
HTT P42858 1/20 0.40
MAPK1 P28482 1/20 0.40
GAA P10253 1/20 0.39
TP53 P04637 2/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 1/20 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
SCHEMBL6770849 0.93 MEN1 (0.44) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL6767380 0.93 TSHR (0.44) GAAMAPTTSHR
SCHEMBL6770228 0.93 MEN1 (0.42) MEN1KMT2AALDH1A1MAPK1TP53
SCHEMBL6769778 0.91 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPK1TSHR
SCHEMBL6770762 0.86 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPK1GAA
SCHEMBL6766054 0.86 MEN1 (0.42) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL6766316 0.85 MAPK1 (0.38) MEN1KMT2AALDH1A1LMNAMAPK1
SCHEMBL6770097 0.85 CA1 (0.42) MEN1KMT2AALDH1A1LMNAHTT
SCHEMBL6766521 0.85 TSHR (0.46) MEN1KMT2AALDH1A1ALOX12LMNA
SCHEMBL6771998 0.84 FDFT1 (0.40) MEN1KMT2AALDH1A1LMNAHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6699877-B2 TREATING PAIN, MIGRAINE, AND VARIOUS OTHER DISEASES GRUENENTHAL GMBH (DE) 2004-03-02 US disclosed
US-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives GRUENENTHAL GMBH 2003-05-08 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 (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-20030087926-A1 Substituted 1,2,3,4-tetrahydroquinoline-2-carboxylic acid derivatives SDHA, CACNA1A, GRIN2C MEN1 416/4885KMT2A 1398/4885ABCC1 1403/4885

“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.