SCHEMBL3229013

SCHEMBL3229013

Cc1noc(-c2ccc(N3CCC4(CC3)Cc3ccccc3C4=O)nn2)n1

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 3/20 0.44
HCRTR2 O43614 3/20 0.44
SCD O00767 10/20 0.44
CNR2 P34972 1/20 0.39
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SIGMAR1 Q99720 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
SCHEMBL3224120 0.81 SCD (0.45) HCRTR1HCRTR2SCDCNR2
SCHEMBL3223079 0.81 SCD (0.48) SCDSIGMAR1
SCHEMBL3223397 0.80 NPY5R (0.50) SCD
SCHEMBL3222392 0.78 SCD (0.49) SCD
SCHEMBL3220004 0.77 NPY5R (0.46) SCD
SCHEMBL3221535 0.76 SCD (0.66) HCRTR1HCRTR2SCD
SCHEMBL3226074 0.76 SCD (0.44) SCDADRA1DADRA1AADRA1BSIGMAR1
SCHEMBL3222654 0.75 SCD (0.45) SCDSIGMAR1
SCHEMBL3231100 0.74 SCD (0.46) SCD
SCHEMBL3219618 0.74 SCD (0.47) 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 HCRTR1 1829/4885HCRTR2 1318/4885SCD 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.