SCHEMBL19300342

SCHEMBL19300342

CC(C)[C@@H]1CCC[C@@H](CN)C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
NCF1 P14598 1/20 0.32
TP53 P04637 1/20 0.31
KDM4E B2RXH2 1/20 0.30
GMNN O75496 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
BLM P54132 1/20 0.30
PMP22 Q01453 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30

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
SCHEMBL19728160 1.00 EPHX1 (0.33) EPHX1NCF1TP53KDM4EGMNN
SCHEMBL19300340 1.00 EPHX1 (0.33) EPHX1NCF1TP53KDM4EGMNN
SCHEMBL19728161 1.00 EPHX1 (0.33) EPHX1NCF1TP53KDM4EGMNN
SCHEMBL10177714 1.00 EPHX1 (0.33) EPHX1NCF1TP53KDM4EGMNN
SCHEMBL12014105 0.86 NCF1 (0.34) NCF1LMNA
SCHEMBL7492568 0.85 EPHX1 (0.32) EPHX1NCF1TP53
SCHEMBL21510159 0.85
SCHEMBL25868537 0.83 TP53 (0.38) EPHX1NCF1TP53KDM4EGMNN
SCHEMBL16191176 0.82 SHBG (0.31)
SCHEMBL16192875 0.82 SHBG (0.31)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210198252-A1 SMYD INHIBITORS EPIZYME INC (US) 2021-07-01 US disclosed
US-20170362217-A1 Substituted Piperidine Compounds Epizyme, Inc. (US) 2017-12-21 US disclosed
US-20170362191-A1 Substituted Cyclohexylamine Compounds Epizyme, Inc. (US) 2017-12-21 US disclosed
US-20170253601-A1 Substituted Pyrrolidine Compounds Epizyme, Inc. (US) 2017-09-07 US disclosed
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds Epizyme, Inc. (US) 2017-08-31 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 (5 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-20170362217-A1 Substituted Piperidine Compounds SMYD3, SMYD2, SNRPD3 EPHX1 4037/4885NCF1 2077/4885TP53 62/4885
US-20210198252-A1 SMYD INHIBITORS SMYD3, SMYD2, SMURF2 EPHX1 2855/4885NCF1 2060/4885TP53 666/4885
US-20170247326-A1 Substituted Pyrrolidine Carboxamide Compounds SMYD3, SMYD2, SMURF2 EPHX1 4167/4885NCF1 1995/4885TP53 109/4885
US-20170362191-A1 Substituted Cyclohexylamine Compounds SMYD3, SMYD2, SNRPD3 EPHX1 3678/4885NCF1 3433/4885TP53 88/4885
US-20170253601-A1 Substituted Pyrrolidine Compounds SMYD2, SMYD3, SNRPD2 EPHX1 3908/4885NCF1 2287/4885TP53 31/4885

“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.