SCHEMBL3179712

SCHEMBL3179712

CC1CN(C(=O)OC(C)(C)C)CCN1CC(N)=O

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.41
MEN1 O00255 1/20 0.40
ALDH1A1 P00352 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
EPHX2 P34913 1/20 0.40
SMARCA2 P51531 1/20 0.40
SMARCA4 P51532 1/20 0.40
PBRM1 Q86U86 1/20 0.40
USP2 O75604 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
SETD7 Q8WTS6 1/20 0.39
GPR119 Q8TDV5 8/20 0.39
HPGD P15428 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
SCHEMBL3179703 1.00 NR1H2 (0.41) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL13812253 0.87 SLC6A9 (0.44) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL23235715 0.87 SLC6A9 (0.44) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL1673065 0.86 SLC6A9 (0.43) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL15347416 0.86 SLC6A9 (0.43) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL3315088 0.84 NR1H2 (0.40) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL3319602 0.84 NR1H2 (0.40) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL17477192 0.84 NR1H2 (0.44) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL13442980 0.84 NR1H2 (0.44) NR1H2MEN1ALDH1A1MAPTKMT2A
SCHEMBL17477191 0.84 NR1H2 (0.44) NR1H2MEN1ALDH1A1MAPTKMT2A

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
EP-2125795-B1 INDOLE DERIVATIVES MSD OSS BV (NL) 2013-03-20 EP disclosed
US-7655645-B2 Analgesics; neuropathic pain, cancer pain, multiple sclerosis N.V. ORGANON (NL) 2010-02-02 US disclosed
CN-101616914-A Indole derivatives ORGANON NV 2009-12-30 CN disclosed
US-20080207598-A1 INDOLE DERIVATIVES N.V. ORGANON (NL) 2008-08-28 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-20080207598-A1 INDOLE DERIVATIVES CNR1, CNR2, OPRD1 NR1H2 63/4885MEN1 2578/4885ALDH1A1 4175/4885

“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.