SCHEMBL12802147

SCHEMBL12802147

CC1CN(c2ccc(CN)cn2)CCO1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
WNT3A P56704 1/20 0.43
NR3C2 P08235 1/20 0.43
CHIA Q9BZP6 1/20 0.41
CYP11B1 P15538 1/20 0.41
CYP11B2 P19099 1/20 0.41
SYK P43405 1/20 0.41
ATM Q13315 4/20 0.39
MAP3K7 O43318 2/20 0.39
FFAR2 O15552 1/20 0.39
AOC3 Q16853 1/20 0.39
LRRK2 Q5S007 5/20 0.38
FGFR2 P21802 1/20 0.38
FGFR3 P22607 1/20 0.38
ACVR1 Q04771 1/20 0.38

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
SCHEMBL12235930 0.82 NR3C2 (0.45) NR3C2SYKMAP3K7FFAR2LRRK2
SCHEMBL2744990 0.82 NR3C2 (0.45) NR3C2SYKMAP3K7FFAR2LRRK2
SCHEMBL12235349 0.82 NR3C2 (0.45) NR3C2SYKMAP3K7FFAR2LRRK2
SCHEMBL14376036 0.81 NR3C2 (0.47) WNT3ANR3C2SYKATMMAP3K7
SCHEMBL21588462 0.79 AKR1C3 (0.46) WNT3ANR3C2SYKMAP3K7LRRK2
SCHEMBL21588456 0.79 AKR1C3 (0.46) WNT3ANR3C2SYKMAP3K7LRRK2
SCHEMBL21588286 0.79 AKR1C3 (0.46) WNT3ANR3C2SYKMAP3K7LRRK2
SCHEMBL27034072 0.79 MAPT (0.45) CHIA
SCHEMBL27239071 0.79 MAPT (0.45) CHIA
SCHEMBL21396407 0.79 ATM (0.38) NR3C2SYKATMFFAR2LRRK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 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-20120251551-A1 Substituted (Heteroarylmethyl)thiohydantoins TPMT, BPHL, VHL WNT3A 4115/4885NR3C2 290/4885CHIA 2223/4885

“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.