SCHEMBL18213611

SCHEMBL18213611

CC(C)C1CCN(c2ccc3cc(C#N)c4nc5ccccc5n4c3n2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 10/20 0.41
▸ ALDH1A1 P00352 9/20 0.40
▸ HPGD P15428 5/20 0.40
▸ GLA P06280 4/20 0.40
▸ TSHR P16473 2/20 0.39
▸ HSD17B10 Q99714 2/20 0.39
▸ GAA P10253 5/20 0.37
▸ L3MBTL1 Q9Y468 3/20 0.37
▸ KMT2A Q03164 5/20 0.37
▸ POLB P06746 4/20 0.37
▸ ATM Q13315 2/20 0.37
▸ MAPK1 P28482 2/20 0.37
▸ LMNA P02545 2/20 0.37
▸ MAPT P10636 4/20 0.36
▸ MEN1 O00255 4/20 0.36
▸ HIF1A Q16665 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ HTT P42858 2/20 0.36
▸ NPSR1 Q6W5P4 3/20 0.35

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
SCHEMBL17255025 0.85 PDE10A (0.43) KDM4EALDH1A1HPGDGLATSHR
SCHEMBL19636342 0.82 KDM4E (0.43) KDM4EALDH1A1HPGDGLATSHR
SCHEMBL18042578 0.81 KDM4E (0.49) KDM4EALDH1A1HPGDGLATSHR
SCHEMBL31403195 0.80 TSHR (0.40) KDM4EALDH1A1HPGDGLATSHR
SCHEMBL17255024 0.80 TSHR (0.40) KDM4EALDH1A1HPGDGLATSHR
SCHEMBL17255029 0.80 HRH3 (0.52) KDM4EALDH1A1HPGDGLATSHR
SCHEMBL17254978 0.77 TSHR (0.46) KDM4EALDH1A1HPGDGLATSHR
SCHEMBL17254998 0.75 HSD17B10 (0.45) KDM4EALDH1A1HPGDGLATSHR
SCHEMBL17255036 0.74 MAPK1 (0.40) KDM4EALDH1A1HPGDGLATSHR
SCHEMBL17255049 0.74 HRH1 (0.42) KDM4EALDH1A1HPGDGLATSHR

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-20160326176-A1 Novel Compositions, Uses and Methods for Making Them PIMERA, INC 2016-11-10 — — US disclosed
US-20160326176-A1 Novel Compositions, Uses and Methods for Making Them PIMERA, INC 2016-11-10 — — 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-20160326176-A1 Novel Compositions, Uses and Methods for Making Them BAX, CASP3, BCL2 KDM4E 2839/4885ALDH1A1 3544/4885HPGD 426/4885

“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.

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