SCHEMBL23316952

SCHEMBL23316952

CCCCCCC(C)CCCCn1cnnc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.46
ACE2 Q9BYF1 1/20 0.42
NPC1 O15118 6/20 0.37
RAB9A P51151 6/20 0.37
HTT P42858 5/20 0.37
MAPK1 P28482 3/20 0.37
NPSR1 Q6W5P4 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
GALR3 O60755 2/20 0.37
POLB P06746 2/20 0.37
ATM Q13315 2/20 0.37
LMNA P02545 2/20 0.37
HSP90AA1 P07900 2/20 0.37
MAPT P10636 2/20 0.37
KDM4E B2RXH2 1/20 0.37
RAD52 P43351 1/20 0.37
PAX8 Q06710 1/20 0.37
NR2F2 P24468 1/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37

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
SCHEMBL19413109 1.00 TBXAS1 (0.46) TBXAS1ACE2NPC1RAB9AHTT
SCHEMBL20441199 0.86 TBXAS1 (0.57) TBXAS1NPC1RAB9AHTTMAPK1
SCHEMBL10981743 0.86 TBXAS1 (0.57) TBXAS1NPC1RAB9AHTTMAPK1
SCHEMBL11369087 0.86 TBXAS1 (0.57) TBXAS1NPC1RAB9AHTTMAPK1
SCHEMBL1820999 0.86 TBXAS1 (0.57) TBXAS1NPC1RAB9AHTTMAPK1
SCHEMBL11376133 0.86 TBXAS1 (0.57) TBXAS1NPC1RAB9AHTTMAPK1
SCHEMBL2364458 0.84 TBXAS1 (0.54) TBXAS1NPC1RAB9AHTTMAPK1
SCHEMBL22313371 0.80 TBXAS1 (0.77) TBXAS1
SCHEMBL14247 0.77
Water SCHEMBL29031201 0.75 TBXAS1 (0.43) TBXAS1NPC1RAB9AHTTMAPK1

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-20210128528-A1 USE OF 5HT2A INVERSE AGONISTS FOR TREATING PSYCHOSIS AXOVANT SCIENCES GMBH (CH) 2021-05-06 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-20210128528-A1 USE OF 5HT2A INVERSE AGONISTS FOR TREATING PSYCHOSIS HTR2A, HTR1A, HTR3B TBXAS1 904/4885ACE2 1792/4885NPC1 2638/4885

“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.