SCHEMBL3217042

SCHEMBL3217042

O=C(NCCN1CCOCC1)c1ccc(N2CCC3(C=Cc4ccccc43)CC2)nn1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
SCD O00767 1/20 0.47
LMNA P02545 2/20 0.45
KMT2A Q03164 2/20 0.45
HPGD P15428 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
KDM4E B2RXH2 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HPGDS O60760 1/20 0.40
MEN1 O00255 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL3217035 1.00 SMN1; SMN2 (0.48) SMN1; SMN2SCDLMNAKMT2AHPGD
SCHEMBL3230776 0.95 HTT (0.47) SMN1; SMN2SCDLMNAALDH1A1RAB9A
SCHEMBL3230785 0.95 HTT (0.47) SMN1; SMN2SCDLMNAALDH1A1RAB9A
SCHEMBL3220064 0.87 SCD (0.51) SCD
SCHEMBL3220070 0.87 SCD (0.51) SCD
SCHEMBL3228332 0.85 SCD (0.49) SCD
SCHEMBL3228326 0.85 SCD (0.49) SCD
SCHEMBL3224714 0.84 SCD (0.47) SCD
SCHEMBL3224707 0.84 SCD (0.47) SCD
SCHEMBL3220416 0.84 NPC1 (0.48) SMN1; SMN2LMNAKMT2AALDH1A1RAB9A

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 SMN1; SMN2 894/4885SCD 1/4885LMNA 400/4885

“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.