SCHEMBL2902736

SCHEMBL2902736

O=C(NCC1(Cc2ccccn2)CCNCC1)c1ccc(Cl)cc1Cl

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.61
SLC6A9 P48067 12/20 0.53
KMT2A Q03164 2/20 0.51
RAB9A P51151 4/20 0.48
NPC1 O15118 2/20 0.48
LMNA P02545 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
THRB P10828 1/20 0.46
RECQL P46063 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL27684015 0.90 HPGD (0.58) HPGDSLC6A9KMT2ARAB9ASMN1; SMN2
SCHEMBL8279714 0.82 SLC6A9 (0.70) HPGDSLC6A9KMT2ARAB9ANPC1
SCHEMBL2905086 0.80 SLC6A9 (0.52) HPGDSLC6A9LMNATHRB
SCHEMBL2899317 0.78 SLC6A9 (0.71) SLC6A9
SCHEMBL2903008 0.77 SLC6A9 (0.70) SLC6A9
SCHEMBL11887850 0.77 HPGD (1.00) HPGDKMT2ARAB9ANPC1LMNA
SCHEMBL8281390 0.76 SLC6A9 (0.56) HPGDSLC6A9
SCHEMBL2950223 0.75 SLC6A9 (0.67) HPGDSLC6A9
Hydrochloric Acid SCHEMBL3558240 0.75 SLC6A9 (0.56) SLC6A9
SCHEMBL13037353 0.71 SLC6A9 (0.64) HPGDSLC6A9KMT2ARAB9ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831201-B1 PIPERIDINE AND AZETIDINE DERIVATIVES AS GLYT1 INHIBITORS MERCK SHARP & DOHME (GB) 2010-08-04 EP disclosed
US-7655644-B2 Piperidine and azetidine derivatives as GlyT1 inhibitors MERCK SHARP & DOHME LIMITED (GB) 2010-02-02 US disclosed
US-20080090796-A1 Piperidine And Azetidine Derivatives As Glyt1 Inhibitors MERCK SHARP & DOHME (UK) LIMITED (GB) 2008-04-17 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-20080090796-A1 Piperidine And Azetidine Derivatives As Glyt1 Inhibitors SLC6A7, SLC1A1, SLC1A2 HPGD 2137/4885SLC6A9 11/4885KMT2A 725/4885

“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.