SCHEMBL6770097

SCHEMBL6770097

CCOC(=O)C1CC(c2ccccc2C)c2cc(Cl)ccc2N1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
POLB P06746 3/20 0.39
TSHR P16473 2/20 0.39
MAPK1 P28482 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 2/20 0.36
DRD1 P21728 1/20 0.36

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
SCHEMBL6766521 0.91 TSHR (0.46) POLBTSHRMAPK1MEN1KMT2A
SCHEMBL6771998 0.89 FDFT1 (0.40) POLBTSHRMAPK1MEN1KMT2A
SCHEMBL6766435 0.89 MEN1 (0.46) CA1CA2POLBMEN1KMT2A
SCHEMBL6770228 0.88 MEN1 (0.42) TSHRMAPK1MEN1KMT2AMAPT
SCHEMBL6769878 0.85 MEN1 (0.41) POLBTSHRMAPK1MEN1KMT2A
SCHEMBL6766316 0.85 MAPK1 (0.38) POLBTSHRMAPK1MEN1KMT2A
SCHEMBL6769227 0.83 MEN1 (0.41) MEN1KMT2A
SCHEMBL6767380 0.82 TSHR (0.44) TSHRMAPT
SCHEMBL6770849 0.82 MEN1 (0.44) POLBTSHRMAPK1MEN1KMT2A
SCHEMBL6770762 0.81 ALDH1A1 (0.41) MAPK1MEN1KMT2ATDP1ALDH1A1

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 CA1 1005/4885CA2 277/4885POLB 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.