SCHEMBL799702

SCHEMBL799702

CCC1(CN2C(=O)c3ccccc3C2=O)CC1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.45
ALDH1A1 P00352 4/20 0.43
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.42
CA9 Q16790 1/20 0.42
GLS O94925 1/20 0.42
MEN1 O00255 1/20 0.41
PKM P14618 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ACHE P22303 2/20 0.41
RPS6KA2 Q15349 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
SCHEMBL4759573 0.79 CA12 (0.43) ALDH1A1LMNACA12CA9GLS
SCHEMBL31230279 0.78 DRD3 (0.41) DRD3ALDH1A1LMNACA12CA9
SCHEMBL14928448 0.78 CYP1A2 (0.46) DRD3ALDH1A1LMNACA12CA9
SCHEMBL17983217 0.76 ALDH1A1 (0.45) DRD3ALDH1A1CA12CA9GLS
SCHEMBL17983100 0.75 DRD3 (0.45) DRD3ALDH1A1CA12CA9GLS
SCHEMBL13919903 0.74 ACHE (0.48) DRD3ALDH1A1LMNAGLSKMT2A
SCHEMBL21618327 0.74 CA12 (0.44) DRD3ALDH1A1LMNACA12CA9
SCHEMBL14909935 0.74 ALDH1A1 (0.44) DRD3ALDH1A1LMNACA12CA9
SCHEMBL10076112 0.74 RPS6KA2 (0.42) DRD3ALDH1A1LMNACA12CA9
SCHEMBL14842153 0.74 ACHE (0.43) DRD3ALDH1A1LMNACA12CA9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9346822-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-05-24 US disclosed
US-20140221381-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-08-07 US disclosed
US-8735401-B2 Thienopyrimidine compounds and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2014-05-27 US disclosed
US-20120071486-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2012-03-22 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 (2 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-20120071486-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF GNRHR, KISS1R, NR5A1 DRD3 957/4885ALDH1A1 1567/4885LMNA 4764/4885
US-20140221381-A1 THIENOPYRIMIDINE COMPOUNDS AND USE THEREOF GNRHR, KISS1R, NR5A1 DRD3 957/4885ALDH1A1 1567/4885LMNA 4764/4885

“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.