SCHEMBL22644685

SCHEMBL22644685

CC(C)(C)OC(=O)NC[C@H]1CN(C(=O)c2csc(-c3ccc(Cl)cc3Cl)n2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 7/20 0.43
NPC1 O15118 4/20 0.41
RAB9A P51151 4/20 0.41
HPGD P15428 3/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
TP53 P04637 1/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
ALDH1A1 P00352 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SHMT1 P34896 5/20 0.40
PRKD3 O94806 1/20 0.39
PRKCG P05129 1/20 0.39
PRKCB P05771 1/20 0.39
IL1R1 P14778 1/20 0.39
PRKCA P17252 1/20 0.39
TNFRSF1A P19438 1/20 0.39
PRKCH P24723 1/20 0.39

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
SCHEMBL22637419 0.88 HTR2C (0.48) HTR2CNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL22637421 0.88 HTR2C (0.48) HTR2CNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL22637331 0.83 HTR2C (0.46) HTR2CNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL22637423 0.82 HTR2C (0.51) HTR2CNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL22637425 0.82 HTR2C (0.51) HTR2CNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL24565737 0.70 HTR2C (0.44) HTR2CNPC1RAB9AHPGDSMN1; SMN2
SCHEMBL19182909 0.69 HCRTR2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL4229109 0.69 HCRTR2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL3545847 0.69 HCRTR2 (0.40) SMN1; SMN2MEN1KMT2AALDH1A1L3MBTL1
SCHEMBL22637566 0.69 SUV39H2 (0.43) HTR2CKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220204495-A1 INHIBITING TRABID Valo Health, LLC 2022-06-30 US disclosed
WO-2020227168-A1 INHIBITING TRABID INTEGRAL EARLY DISCOVERY, INC. (US) 2020-11-12 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-20220204495-A1 INHIBITING TRABID TPO, PRKACG, NFKBIA HTR2C 4278/4885NPC1 3297/4885RAB9A 622/4885

“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.