SCHEMBL17470845

SCHEMBL17470845

[3H]CN1CCN(C(=O)c2ccc(C(C)(C)C)cc2)CC1

nearest known ligand 0.79

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.79
ALOX15 P16050 1/20 0.79
MEN1 O00255 6/20 0.71
KMT2A Q03164 6/20 0.71
HTT P42858 3/20 0.71
SMN1; SMN2 Q16637 3/20 0.71
ALDH1A1 P00352 2/20 0.71
KDM4E B2RXH2 1/20 0.56
ABL1 P00519 1/20 0.54
BCR P11274 1/20 0.54
POLB P06746 2/20 0.53
LMNA P02545 2/20 0.53
TSHR P16473 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CNR2 P34972 3/20 0.52
CNR1 P21554 2/20 0.51

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
SCHEMBL4548015 0.89 HPGD (1.00) HPGDALOX15MEN1KMT2AHTT
SCHEMBL17806552 0.84 HPGD (0.91) HPGDALOX15MEN1KMT2AHTT
SCHEMBL15317660 0.83 HPGD (0.88) HPGDALOX15MEN1KMT2AHTT
SCHEMBL15317655 0.82 MEN1 (0.78) HPGDALOX15MEN1KMT2AHTT
SCHEMBL4406614 0.82 MEN1 (0.96) HPGDALOX15MEN1KMT2AHTT
SCHEMBL270727 0.82 MEN1 (0.90) HPGDALOX15MEN1KMT2AHTT
SCHEMBL21977130 0.81 MEN1 (0.76) HPGDALOX15MEN1KMT2AHTT
SCHEMBL11300473 0.80 MEN1 (0.87) HPGDALOX15MEN1KMT2AHTT
SCHEMBL271078 0.80 MEN1 (0.87) HPGDALOX15MEN1KMT2AHTT
SCHEMBL3460184 0.80 MEN1 (0.87) HPGDALOX15MEN1KMT2AHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9776996-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-10-03 US disclosed
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2017-08-03 US disclosed
US-9624205-B2 Substituted 6,5-fused bicyclic heteroaryl compounds Epizyme, Inc. (US) 2017-04-18 US disclosed
US-20160194316-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2016-07-07 US disclosed
US-20160152604-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS Epizyme, Inc. 2016-06-02 US disclosed
US-20160031907-A1 Substituted Benzene Compounds Epizyme, Inc. 2016-02-04 US disclosed
US-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds Epizyme, Inc. 2016-01-28 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-20160024081-A1 Substituted 6,5-Fused Bicyclic Heteroaryl Compounds CYP3A5, PAICS, CYP4B1 HPGD 374/4885ALOX15 1110/4885MEN1 1273/4885
US-20160031907-A1 Substituted Benzene Compounds CYP1B1, CYP4B1, CYP2B6 HPGD 98/4885ALOX15 703/4885MEN1 1388/4885
US-20160152604-A1 SUBSTITUTED 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, CYP3A5, PAICS HPGD 295/4885ALOX15 1095/4885MEN1 1574/4885
US-20170217941-A1 SUBSTITUTED BENZENE AND 6,5-FUSED BICYCLIC HETEROARYL COMPOUNDS BCOR, CYP2B6, AHR HPGD 226/4885ALOX15 845/4885MEN1 3109/4885
US-20160194316-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL HPGD 133/4885ALOX15 1148/4885MEN1 2339/4885

“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.