SCHEMBL3263268

SCHEMBL3263268

Cc1nc(-c2ccc(N3CCC4(CC3)COc3ccccc34)nn2)no1.NC(=NO)c1ccc(N2CCC3(CC2)COc2ccccc23)nn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCD O00767 8/20 0.49
HTR1D P28221 2/20 0.34
HTR1B P28222 2/20 0.34
HTR2A P28223 2/20 0.34
TNKS O95271 1/20 0.34
TNKS2 Q9H2K2 1/20 0.34
MEN1 O00255 2/20 0.32
MAPT P10636 2/20 0.32
MAPK1 P28482 2/20 0.32
KMT2A Q03164 2/20 0.32
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
CYP1A2 P05177 1/20 0.32
CHRM2 P08172 1/20 0.32
CYP3A4 P08684 1/20 0.32
CHRM5 P08912 1/20 0.32
ADRA2A P08913 1/20 0.32
CYP2D6 P10635 1/20 0.32
CHRM1 P11229 1/20 0.32
CYP2C9 P11712 1/20 0.32

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
SCHEMBL3224305 0.89 SCD (0.56) SCDHTR1DHTR1BHTR2ATNKS
SCHEMBL3260728 0.86 SCD (0.47) SCDTNKSTNKS2IDO1
SCHEMBL3260725 0.86 SCD (0.47) SCDTNKSTNKS2IDO1
SCHEMBL3224908 0.84 SCD (0.64) SCDHTR1DHTR1BHTR2ATNKS
SCHEMBL3259786 0.81 SCD (0.55) SCDTNKSTNKS2IDO1
SCHEMBL3259787 0.81 SCD (0.55) SCDTNKSTNKS2IDO1
SCHEMBL3259086 0.79 AVPR1A (0.38) SCD
SCHEMBL3228030 0.78 SCD (0.63) SCDTNKSTNKS2
SCHEMBL3228039 0.78 SCD (0.63) SCDTNKSTNKS2
SCHEMBL3228145 0.78 SCD (0.56) SCDTNKSTNKS2IDO1

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 1/4885HTR1D 3236/4885HTR1B 2521/4885

“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.