SCHEMBL5425849

SCHEMBL5425849

CN1C[C@H](C(=O)NCCO)C=C2c3cccc4[nH]cc(c34)C[C@H]21

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B10 Q99714 6/20 0.74
▸ MEN1 O00255 6/20 0.74
▸ KMT2A Q03164 6/20 0.74
▸ CYP2D6 P10635 6/20 0.74
▸ KDM4E B2RXH2 5/20 0.74
▸ MAPT P10636 4/20 0.74
▸ ALDH1A1 P00352 4/20 0.74
▸ HTR6 P50406 4/20 0.74
▸ RECQL P46063 3/20 0.74
▸ HPGD P15428 3/20 0.74
▸ DRD2 P14416 3/20 0.74
▸ HTR2A P28223 3/20 0.74
▸ HTR2C P28335 3/20 0.74
▸ DRD3 P35462 3/20 0.74
▸ HTR2B P41595 3/20 0.74
▸ CYP3A4 P08684 2/20 0.74
▸ ADRA2A P08913 2/20 0.74
▸ ADRA2B P18089 2/20 0.74
▸ DRD1 P21728 2/20 0.74
▸ CASP1 P29466 1/20 0.74

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
SCHEMBL26265120 1.00 HSD17B10 (0.74) HSD17B10MEN1KMT2ACYP2D6KDM4E
SCHEMBL11208707 0.94 HSD17B10 (0.72) HSD17B10MEN1KMT2ACYP2D6KDM4E
SCHEMBL11209308 0.94 HSD17B10 (0.71) HSD17B10MEN1KMT2ACYP2D6KDM4E
SCHEMBL26265117 0.92 MEN1 (0.71) HSD17B10MEN1KMT2ACYP2D6KDM4E
SCHEMBL670696 0.90 HTR6 (0.76) HSD17B10MEN1KMT2ACYP2D6KDM4E
SCHEMBL13475442 0.90 HTR6 (0.76) HSD17B10MEN1KMT2ACYP2D6KDM4E
SCHEMBL31079449 0.90 HTR6 (0.76) HSD17B10MEN1KMT2ACYP2D6KDM4E
SCHEMBL30417228 0.89 HTR6 (0.70) HSD17B10MEN1KMT2ACYP2D6KDM4E
SCHEMBL26265139 0.88 HTR6 (0.81) HSD17B10MEN1KMT2ACYP2D6KDM4E
SCHEMBL25545437 0.87 MEN1 (0.79) HSD17B10MEN1KMT2ACYP2D6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014186623-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF A CHAGAS DISEASE BIOMED VALLEY DISCOVERIES (US) 2014-11-20 — — WO claimed
CN-106565702-A Method for preparing lysergic acid through hydrolysis 重庆乾泰生物医药有限公司 2017-04-19 — — CN disclosed
WO-2014186623-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF A CHAGAS DISEASE BIOMED VALLEY DISCOVERIES (US) 2014-11-20 — — WO disclosed
US-20070135638-A1 Process for the manufacture of lysergic acid IVAX PHARMACEUTICALS S.R.O. (CZ) 2007-06-14 — — 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-20070135638-A1 Process for the manufacture of lysergic acid LPAR5, LPAR2, LPAR1 HSD17B10 3037/4885MEN1 1860/4885KMT2A 449/4885

“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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