SCHEMBL4115909

SCHEMBL4115909

CC(C)(C)C([NH])C(=O)NCCC(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.35
KCNH2 Q12809 1/20 0.35
IDO1 P14902 1/20 0.34
USP2 O75604 1/20 0.32
TSHR P16473 1/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32
PSENEN Q9NZ42 1/20 0.32
MLYCD O95822 1/20 0.32

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
SCHEMBL4125963 0.81 PTGS1 (0.37) PTGS1KCNH2USP2TSHR
SCHEMBL4128472 0.79 USP2 (0.50) PTGS1KCNH2USP2TSHR
SCHEMBL4115911 0.78 DPP4 (0.40) PTGS1KCNH2IDO1USP2TSHR
SCHEMBL9151 0.76 KMT2A (0.41) IDO1USP2TSHRPSEN1PSEN2
SCHEMBL4128353 0.74 DNM1 (0.39) PTGS1KCNH2USP2TSHR
SCHEMBL4126930 0.74 TSHR (0.33) PTGS1KCNH2USP2TSHR
SCHEMBL4116094 0.73 PTGS1 (0.30) PTGS1KCNH2
SCHEMBL26066744 0.73 TERT (0.37) IDO1USP2TSHRPSEN1PSEN2
SCHEMBL15801448 0.73 TERT (0.37) IDO1USP2TSHRPSEN1PSEN2
SCHEMBL4109407 0.73 CTSS (0.36) PTGS1KCNH2USP2TSHR

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-8431565-B2 Substituted imidazoheterocycles CARA THERAPEUTICS, INC. (US) 2013-04-30 US claimed
US-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CARA THERAPEUTICS, INC. (US) 2009-06-11 US claimed

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-20090149450-A1 SUBSTITUTED IMIDAZOHETEROCYCLES CNR1, CNR2, TRPV1 PTGS1 197/4885KCNH2 919/4885IDO1 431/4885

“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.