SCHEMBL3515007

SCHEMBL3515007

CC(C)(C)c1ccccc1OC1CC[N]C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RBP4 P02753 6/20 0.46
NISCH Q9Y2I1 1/20 0.40
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C19 P33261 1/20 0.36
HSD17B10 Q99714 1/20 0.36
ALDH1A1 P00352 1/20 0.35
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35
SCD O00767 4/20 0.34
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
P2RY1 P47900 3/20 0.34

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
SCHEMBL3512541 0.87 RBP4 (0.49) RBP4NISCHCYP1A2CYP2D6CYP2C19
SCHEMBL3100456 0.82 RBP4 (0.48) RBP4SCD
SCHEMBL22023666 0.81 RBP4 (0.53) RBP4NISCHCYP1A2CYP2D6CYP2C19
SCHEMBL23665229 0.78 RBP4 (0.51) RBP4CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL22702793 0.78 RBP4 (0.51) RBP4NISCHCYP1A2CYP2D6CYP2C19
SCHEMBL14008912 0.77 RBP4 (0.50) RBP4CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL3121102 0.76 SLC6A4 (0.53) SCD
SCHEMBL17955457 0.74 SYK (0.52) RBP4CYP1A2CYP2D6CYP2C19HSD17B10
SCHEMBL3118290 0.74 SCD (0.53) CYP2D6SCD
SCHEMBL5365259 0.74 HRH1 (0.57) RBP4

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-8586571-B2 Heterocyclic compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2013-11-19 US disclosed
US-20100292206-A1 HETEROCYCLIC COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-11-18 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-20100292206-A1 HETEROCYCLIC COMPOUND RBP4, RBP1, RAVER1 RBP4 1/4885NISCH 3553/4885CYP1A2 3817/4885

“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.