SCHEMBL2054714

SCHEMBL2054714

Cn1c(SCC2CC2)nnc1C(N)CC1CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.41
POLB P06746 1/20 0.36
LMNA P02545 1/20 0.34
KMT2A Q03164 2/20 0.32
MEN1 O00255 1/20 0.30
TSHR P16473 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL2095703 0.82 ALDH1A1 (0.41) ALDH1A1POLBLMNAKMT2AMEN1
SCHEMBL2054703 0.82 ALDH1A1 (0.41) ALDH1A1POLBLMNAKMT2AMEN1
SCHEMBL2054699 0.79 ALDH1A1 (0.38) ALDH1A1POLBLMNATSHRNPC1
SCHEMBL2054698 0.74 ALDH1A1 (0.40) ALDH1A1POLBLMNAKMT2AMEN1
SCHEMBL2098763 0.66 POLB (0.36) ALDH1A1POLBLMNAKMT2AMEN1
SCHEMBL2054710 0.65 ALDH1A1 (0.41) ALDH1A1POLBKMT2AMEN1TSHR
SCHEMBL13528425 0.63 ALDH1A1 (0.60) ALDH1A1POLBLMNANPC1MAPT
SCHEMBL2054715 0.62 CRBN (0.56) ALDH1A1POLBLMNAKMT2AMEN1
SCHEMBL8363511 0.60 POLB (0.60) ALDH1A1POLBLMNATSHRNPC1
SCHEMBL2098792 0.58 PARP14 (0.30)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-8163956-B2 Inhibitors of GLYT1 transporters MERCK SHARP & DOHME CORP. (US) 2012-04-24 US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 US disclosed
US-20090286765-A1 Therapeutic Agents MERCK SHARP & DOHME (UK) LIMITED (GB) 2009-11-19 US disclosed
WO-2006134341-A1 THERAPEUTIC AGENTS MERCK SHARP & DOHME LIMITED (GB) 2006-12-21 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-20090286765-A1 Therapeutic Agents GRIA1, GRIN1, GLRA1 ALDH1A1 652/4885POLB 4418/4885LMNA 3470/4885

“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.