SCHEMBL3230776

SCHEMBL3230776

O=C(NCCCN1CCOCC1)c1ccc(N2CCC3(C=Cc4ccccc43)CC2)nn1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.47
HIF1A Q16665 1/20 0.47
SCD O00767 1/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
ALDH1A1 P00352 3/20 0.46
KDM4E B2RXH2 2/20 0.46
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
CCR2 P41597 1/20 0.42
GLA P06280 1/20 0.42
GAA P10253 1/20 0.42
KDM4A O75164 1/20 0.42

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
SCHEMBL3230785 1.00 HTT (0.47) HTTHIF1ASCDSMN1; SMN2ALDH1A1
SCHEMBL3217035 0.95 SMN1; SMN2 (0.48) SCDSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL3217042 0.95 SMN1; SMN2 (0.48) SCDSMN1; SMN2ALDH1A1KDM4ELMNA
SCHEMBL3228332 0.88 SCD (0.49) SCD
SCHEMBL3228326 0.88 SCD (0.49) SCD
SCHEMBL3220070 0.86 SCD (0.51) SCD
SCHEMBL3220064 0.86 SCD (0.51) SCD
SCHEMBL3231540 0.84 SCD (0.54) SCD
SCHEMBL3231533 0.84 SCD (0.54) SCD
SCHEMBL3213577 0.83 SCD (0.51) SCD

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-8575167-B2 Spiro compounds having stearoyl-CoA desaturase action TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-05 US disclosed
US-20100069351-A1 SPIRO COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-03-18 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-20100069351-A1 SPIRO COMPOUND AND USE THEREOF SCD, SPR, SCD5 HTT 4152/4885HIF1A 1896/4885SCD 1/4885

“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.