SCHEMBL2603239

SCHEMBL2603239

Cc1cc(C(=O)N2CCC(C(C)C)CC2)no1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
CHRNA4 P43681 2/20 0.53
MAPT P10636 2/20 0.51
ALDH1A1 P00352 3/20 0.50
TSHR P16473 2/20 0.50
GPR6 P46095 1/20 0.47
CYP2D6 P10635 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
THRB P10828 2/20 0.46
KDM4E B2RXH2 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL1023268 0.89 KMT2A (0.53) KMT2ACHRNA4MAPTALDH1A1TSHR
SCHEMBL25675970 0.88 KMT2A (0.52) KMT2ACHRNA4MAPTALDH1A1TSHR
SCHEMBL2606197 0.84 NPC1 (0.60) KMT2ACHRNA4MAPTALDH1A1TSHR
SCHEMBL22874996 0.83 NPSR1 (0.58) KMT2ACHRNA4MAPTALDH1A1TSHR
SCHEMBL25676108 0.83 KMT2A (0.56) KMT2ACHRNA4MAPTALDH1A1TSHR
SCHEMBL13670010 0.82 KMT2A (0.62) KMT2ACHRNA4MAPTALDH1A1TSHR
SCHEMBL13631422 0.80 KMT2A (0.66) KMT2ACHRNA4MAPTALDH1A1TSHR
SCHEMBL18390550 0.79 KMT2A (0.58) KMT2ACHRNA4MAPTALDH1A1TSHR
SCHEMBL23573417 0.79 KMT2A (0.54) KMT2ACHRNA4MAPTALDH1A1TSHR
SCHEMBL4336905 0.78 KMT2A (0.53) KMT2ACHRNA4MAPTALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230192671-A1 COMPOUNDS FOR THE TREATMENT OF SARS PURDUE RESEARCH FOUNDATION 2023-06-22 US disclosed
US-20230192671-A1 COMPOUNDS FOR THE TREATMENT OF SARS PURDUE RESEARCH FOUNDATION 2023-06-22 US disclosed
US-8362008-B2 Amido-thiophene compounds and their use as 11-beta-HSD1 inhibitors THE UNIVERSITY OF EDINBURGH (GB) 2013-01-29 US disclosed
US-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders THE UNIVERSITY OF EDINBURGH (GB) 2012-04-19 US disclosed
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors THE UNIVERSITY OF EDINBURGH 2010-10-21 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 (3 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-20120095046-A1 Amido-Isothiazole Compounds and Their Use as Inhibitors of 11Beta-HSD1 for the Treatment of Metabolic Syndrome and Related Disorders HSD11B1, HSD11B2, HSD3B1 KMT2A 2032/4885CHRNA4 1993/4885MAPT 799/4885
US-20230192671-A1 COMPOUNDS FOR THE TREATMENT OF SARS ACE2, ACE, SARS1 KMT2A 2653/4885CHRNA4 4459/4885MAPT 1570/4885
US-20100267696-A1 Amido-Thiophene Compounds and Their Use as 11-Beta-HSD1 Inhibitors HSD11B1, HSD11B2, HSD17B1 KMT2A 2185/4885CHRNA4 3198/4885MAPT 583/4885

“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.