SCHEMBL18334685

SCHEMBL18334685

COc1ccccc1C(=O)C(C)CN(C)C

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSD P07339 1/20 0.49
HPGD P15428 4/20 0.46
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.45
XBP1 P17861 1/20 0.44
KCNA3 P22001 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
LMNA P02545 1/20 0.43
STAT3 P40763 1/20 0.43
KMT2A Q03164 3/20 0.43
MEN1 O00255 1/20 0.43
CRHBP P24387 1/20 0.43
CRHR2 Q13324 1/20 0.43
ABCG2 Q9UNQ0 1/20 0.42
RAB9A P51151 1/20 0.42
KCNK3 O14649 1/20 0.42
KCNK9 Q9NPC2 1/20 0.42
HTT P42858 2/20 0.41

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
SCHEMBL18334708 0.82 MEN1 (0.42) HPGDALDH1A1NPC1L3MBTL1LMNA
SCHEMBL29018644 0.82 CTSD (0.53) CTSDHPGDALDH1A1NPC1XBP1
SCHEMBL13003559 0.82 CTSD (0.53) CTSDHPGDALDH1A1NPC1XBP1
SCHEMBL8700447 0.82 ALDH1A1 (0.49) CTSDHPGDALDH1A1NPC1TP53
SCHEMBL11438001 0.81 SGMS2 (0.50) ALDH1A1NPC1L3MBTL1LMNAKMT2A
SCHEMBL31257134 0.81 CTSD (0.55) CTSDHPGDALDH1A1NPC1XBP1
SCHEMBL2145919 0.80 CTSD (0.41) CTSDHPGDALDH1A1NPC1XBP1
SCHEMBL2145916 0.80 CTSD (0.41) CTSDHPGDALDH1A1NPC1XBP1
SCHEMBL3081274 0.80 CTSD (0.41) CTSDHPGDALDH1A1NPC1XBP1
SCHEMBL2145924 0.80 CTSD (0.41) CTSDHPGDALDH1A1NPC1XBP1

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
CN-107787321-B Novel5-HT2Antagonists 安娜玛有限公司 2021-10-01 CN disclosed
EP-3310762-B1 NOVEL 5-HT2 ANTAGONISTS ANAMAR AB (SE) 2020-08-05 EP disclosed
US-10544103-B2 5-HT2 antagonists ANAMAR AB (SE) 2020-01-28 US disclosed
US-20180155292-A1 NOVEL 5-HT2 ANTAGONISTS ANAMAR AB (SE) 2018-06-07 US disclosed
EP-3310762-A1 NOVEL 5-HT2 ANTAGONISTS Anamar AB (SE) 2018-04-25 EP disclosed
WO-2016207231-A1 NOVEL 5-HT2 ANTAGONISTS ANAMAR AB (SE) 2016-12-29 WO disclosed
EP-3109237-A1 NOVEL 5-HT2 ANTAGONISTS AnaMar AB (SE) 2016-12-28 EP 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 (2 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-10544103-B2 5-HT2 antagonists HTR2B, HTR2C, HTR2A CTSD 3804/4885HPGD 1641/4885ALDH1A1 2604/4885
US-20180155292-A1 NOVEL 5-HT2 ANTAGONISTS HTR2B, TPH2, HTR2C CTSD 3984/4885HPGD 1021/4885ALDH1A1 1409/4885

“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.