SCHEMBL3818092

SCHEMBL3818092

CC1(C)CC2CC(C)(CN2C(=O)c2ccc(CO)cc2)C1

nearest known ligand 0.72

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.70
MEN1 O00255 1/20 0.70
HTT P42858 1/20 0.70
KMT2A Q03164 1/20 0.70
TDP1 Q9NUW8 1/20 0.68
AVPR1A P37288 9/20 0.66
AVPR2 P30518 7/20 0.66
LMNA P02545 2/20 0.65
HSD11B1 P28845 1/20 0.58
HPGD P15428 1/20 0.57
GAA P10253 1/20 0.56
TSHR P16473 1/20 0.53
MAPK1 P28482 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53

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
SCHEMBL3818433 0.89 ALDH1A1 (0.68) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL3809288 0.86 ALDH1A1 (0.65) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL3808691 0.85 ALDH1A1 (0.64) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL13355256 0.85 ALDH1A1 (0.74) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL3455465 0.85 ALDH1A1 (0.74) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL4607419 0.84 ALDH1A1 (0.63) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL3818722 0.84 ALDH1A1 (0.63) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL4607815 0.84 ALDH1A1 (0.63) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL2895098 0.84 ALDH1A1 (0.73) ALDH1A1MEN1HTTKMT2ATDP1
SCHEMBL3456179 0.84 ALDH1A1 (0.73) ALDH1A1MEN1HTTKMT2ATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090124598-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC 2009-05-14 US disclosed
US-20090124598-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC 2009-05-14 US disclosed
US-20090124598-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HIGH POINT PHARMACEUTICALS, LLC 2009-05-14 US disclosed
EP-1948190-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2008-07-30 EP disclosed
WO-2007051810-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 WO disclosed
WO-2007051810-A2 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES TRANSTECH PHARMA (US) 2007-05-10 WO 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-20090124598-A1 PHARMACEUTICAL USE OF SUBSTITUTED AMIDES HSD11B1, HSD11B2, HSD3B1 ALDH1A1 220/4885MEN1 2362/4885HTT 3205/4885

“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.