SCHEMBL21536464

SCHEMBL21536464

O=C(c1cc(-c2ccccc2)on1)N1CC2(CNC2)C1

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 13/20 0.69
SCD O00767 6/20 0.69
NPC1 O15118 4/20 0.64
RAB9A P51151 4/20 0.64
SMN1; SMN2 Q16637 3/20 0.64
MEN1 O00255 1/20 0.64
HPGD P15428 1/20 0.64
KMT2A Q03164 1/20 0.64
HTT P42858 1/20 0.56
ALDH1A1 P00352 1/20 0.55
POLB P06746 1/20 0.55
MAPT P10636 1/20 0.55

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
SCHEMBL21536330 0.85 SCD5 (0.69) SCD5SCDNPC1RAB9ASMN1; SMN2
SCHEMBL21536249 0.84 SCD5 (0.77) SCD5SCDNPC1RAB9ASMN1; SMN2
SCHEMBL21523775 0.81 SCD5 (1.00) SCD5SCDNPC1RAB9ASMN1; SMN2
SCHEMBL21523671 0.81 SCD5 (1.00) SCD5SCDNPC1RAB9ASMN1; SMN2
SCHEMBL21523722 0.80 RAB9A (0.77) SCD5SCDNPC1RAB9ASMN1; SMN2
SCHEMBL21536311 0.79 SCD5 (0.81) SCD5SCDNPC1RAB9ASMN1; SMN2
SCHEMBL21523804 0.79 SCD5 (1.00) SCD5SCDNPC1RAB9ASMN1; SMN2
SCHEMBL21536338 0.77 SCD5 (0.74) SCD5SCDNPC1RAB9ASMN1; SMN2
SCHEMBL17553956 0.77 NPC1 (1.00) SCD5SCDNPC1RAB9ASMN1; SMN2
SCHEMBL21536435 0.76 SCD5 (0.63) SCD5SCDNPC1RAB9ASMN1; SMN2

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-10919885-B2 Compounds and uses thereof YUMANITY THERAPEUTICS, INC. (US) 2021-02-16 US disclosed
US-20190330198-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2019-10-31 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 (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-10919885-B2 Compounds and uses thereof NLN, ACHE, CLN6 SCD5 1575/4885SCD 2044/4885NPC1 72/4885
US-20190330198-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 SCD5 1575/4885SCD 2044/4885NPC1 72/4885

“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.