SCHEMBL14762020

SCHEMBL14762020

N#C[C@H](NC(c1ccccc1)c1ccccc1)C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.40
SIGMAR1 Q99720 9/20 0.37
EPHX2 P34913 3/20 0.36
P2RX7 Q99572 2/20 0.35
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
LMNA P02545 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TRPA1 O75762 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL14762021 1.00 HSD11B1 (0.40) HSD11B1SIGMAR1EPHX2P2RX7EPHX1
SCHEMBL23460096 0.82 MGAM (0.41) HSD11B1SIGMAR1EPHX2P2RX7EPHX1
SCHEMBL16658820 0.82 MGAM (0.41) HSD11B1SIGMAR1EPHX2P2RX7EPHX1
SCHEMBL27978327 0.82 MGAM (0.41) HSD11B1SIGMAR1EPHX2P2RX7EPHX1
SCHEMBL14899032 0.82 MGAM (0.41) HSD11B1SIGMAR1EPHX2P2RX7EPHX1
SCHEMBL27978109 0.82 MGAM (0.41) HSD11B1SIGMAR1EPHX2P2RX7EPHX1
SCHEMBL8297976 0.75 EPHX2 (0.47) EPHX2P2RX7ALDH1A1SMN1; SMN2TSHR
SCHEMBL30195822 0.73 HSD11B1 (0.45) HSD11B1SIGMAR1EPHX2P2RX7EPHX1
SCHEMBL16808616 0.71 MGAM (0.40) HSD11B1EPHX2ALDH1A1SMN1; SMN2
SCHEMBL14761355 0.70 L3MBTL1 (0.34) TSHRTRPA1KMT2A

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-8859812-B2 Compound reagents and method for synthesizing enantiomerically enriched amino acids PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-14 US disclosed
US-8859812-B2 Compound reagents and method for synthesizing enantiomerically enriched amino acids PRESIDENT AND FELLOWS OF HARVARD COLLEGE (US) 2014-10-14 US disclosed
US-20130066109-A1 COMPOUNDS AND RELATED METHODS OF USE PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-14 US disclosed
US-20130066109-A1 COMPOUNDS AND RELATED METHODS OF USE PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-14 US disclosed
US-20130066109-A1 COMPOUNDS AND RELATED METHODS OF USE PRESIDENTS AND FELLOWS OF HARVARD COLLEGE (US) 2013-03-14 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-20130066109-A1 COMPOUNDS AND RELATED METHODS OF USE BCAT2, BCAT1, AADAT HSD11B1 819/4885SIGMAR1 964/4885EPHX2 866/4885

“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.