SCHEMBL3148001

SCHEMBL3148001

CCCCC(=O)N(N)C1CCCc2ccccc21

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.55
▸ ALDH1A1 P00352 2/20 0.55
▸ XBP1 P17861 1/20 0.55
▸ RAB9A P51151 1/20 0.47
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ TRPM8 Q7Z2W7 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ TAOK1 Q7L7X3 3/20 0.41
▸ TAOK3 Q9H2K8 3/20 0.41
▸ SIGMAR1 Q99720 2/20 0.40

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
SCHEMBL3151513 0.92 ALDH1A1 (0.57) HTTALDH1A1XBP1RAB9AMEN1
SCHEMBL19658774 0.75 ALDH1A1 (0.78) HTTALDH1A1XBP1RAB9AMEN1
SCHEMBL4565540 0.75 HTT (0.61) HTTALDH1A1XBP1RAB9AMEN1
SCHEMBL3217680 0.74 ALDH1A1 (0.49) HTTALDH1A1XBP1RAB9ATRPM8
Oxalic Acid SCHEMBL10445493 0.73 HTT (0.55) HTTALDH1A1XBP1RAB9AMEN1
SCHEMBL17577868 0.72 ALDH1A1 (0.50) HTTALDH1A1XBP1RAB9AMEN1
SCHEMBL16138349 0.72 ALDH1A1 (0.50) HTTALDH1A1XBP1RAB9AMEN1
SCHEMBL1568314 0.72 ALDH1A1 (0.58) HTTALDH1A1XBP1RAB9AMEN1
SCHEMBL8181427 0.72 HTT (0.48) HTTALDH1A1XBP1RAB9ASIGMAR1
SCHEMBL3330158 0.72 MEN1 (0.71) HTTALDH1A1MEN1KMT2AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100004339-A1 Somatostatin Receptor 1 and/or 4 Selective Agonists and Antagonists OY JUVANTIA PHARMA LTD. (FI) 2010-01-07 — — 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-20100004339-A1 Somatostatin Receptor 1 and/or 4 Selective Agonists and Antagonists SSTR4, SSTR1, SSTR3 HTT 2132/4885ALDH1A1 4124/4885XBP1 2950/4885

“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.

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