SCHEMBL6766054

SCHEMBL6766054

CCOC(=O)C1CC(c2cccc(Br)c2)c2cc(Cl)ccc2N1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 4/20 0.40
TP53 P04637 2/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPK1 P28482 2/20 0.38
GAA P10253 2/20 0.37
LMNA P02545 2/20 0.37
USP2 O75604 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
ATM Q13315 1/20 0.37
KCNT1 Q5JUK3 1/20 0.37
TDP2 O95551 1/20 0.37
CNR1 P21554 1/20 0.37
MGAM O43451 1/20 0.37
SI P14410 1/20 0.37
MGAM2 Q2M2H8 1/20 0.37
CYP1A2 P05177 1/20 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
SCHEMBL6770849 0.89 MEN1 (0.44) MEN1KMT2APOLBMAPTTP53
SCHEMBL6770228 0.89 MEN1 (0.42) MEN1KMT2AMAPTTP53ALDH1A1
SCHEMBL6770762 0.88 ALDH1A1 (0.41) MEN1KMT2AALDH1A1MAPK1GAA
SCHEMBL6769878 0.86 MEN1 (0.41) MEN1KMT2APOLBMAPTTP53
SCHEMBL6950838 0.84 MAPT (0.39) MEN1KMT2APOLBMAPTTP53
SCHEMBL6771998 0.84 FDFT1 (0.40) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL6775620 0.83 ALDH1A1 (0.39) ALDH1A1
SCHEMBL6767380 0.82 TSHR (0.44) MAPTGAATSHR
SCHEMBL6770097 0.81 CA1 (0.42) MEN1KMT2APOLBMAPTALDH1A1
SCHEMBL6766521 0.81 TSHR (0.46) MEN1KMT2APOLBMAPTTP53

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 1398/4885POLB 4220/4885

“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.