SCHEMBL3224145

SCHEMBL3224145

Cc1nsc(-c2ccc(N3CCC4(CCc5ccccc5O4)CC3)nn2)n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCD O00767 15/20 0.56
SIGMAR1 Q99720 1/20 0.40
DRD2 P14416 1/20 0.39
HTR2A P28223 1/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
ADRA1D P25100 1/20 0.37
ADRA1A P35348 1/20 0.37
ADRA1B P35368 1/20 0.37
TRPM8 Q7Z2W7 1/20 0.37

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
SCHEMBL3224546 0.94 SCD (0.52) SCDSIGMAR1DRD2HTR2ACYP1A2
SCHEMBL3231858 0.92 SCD (0.54) SCD
SCHEMBL3230535 0.83 SCD (0.49) SCDSIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL3232943 0.79 SCD (0.44) SCDSIGMAR1ADRA1DADRA1AADRA1B
SCHEMBL3233550 0.79 SCD (0.51) SCDADRA1DADRA1AADRA1B
SCHEMBL3225972 0.78 SCD (0.51) SCD
SCHEMBL3232416 0.78 SCD (0.54) SCD
SCHEMBL3222045 0.77 NPY5R (0.48) SCDSIGMAR1ADRA1A
SCHEMBL3216485 0.77 SCD (0.48) SCD
SCHEMBL3233686 0.76 SCD (0.48) 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 SCD 1/4885SIGMAR1 1459/4885DRD2 1767/4885

“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.