SCHEMBL3224141

SCHEMBL3224141

O=C(NCCc1ccccc1)c1ccc(N2CCC3(C=Cc4ccccc43)CC2)nn1

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SCD O00767 9/20 0.53
DCTPP1 Q9H773 6/20 0.53
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL3224136 1.00 SCD (0.53) SCDDCTPP1NPC1ALDH1A1LMNA
SCHEMBL3231540 0.94 SCD (0.54) SCDDCTPP1
SCHEMBL3231533 0.94 SCD (0.54) SCDDCTPP1
SCHEMBL3213577 0.94 SCD (0.51) SCDDCTPP1
SCHEMBL3213569 0.94 SCD (0.51) SCDDCTPP1
SCHEMBL3234074 0.91 SCD (0.52) SCDDCTPP1
SCHEMBL3234079 0.91 SCD (0.52) SCDDCTPP1
SCHEMBL3231690 0.90 DCTPP1 (0.52) SCDDCTPP1
SCHEMBL3231697 0.90 DCTPP1 (0.52) SCDDCTPP1
SCHEMBL3220070 0.90 SCD (0.51) SCDDCTPP1

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 SCD 1/4885DCTPP1 4241/4885NPC1 217/4885

“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.