SCHEMBL17136154

SCHEMBL17136154

C#CCN1C[C@@H](C)N[C@@H](C)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.35
SIGMAR1 Q99720 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
ALOX15 P16050 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
HTR2B P41595 1/20 0.34
HTT P42858 1/20 0.34
SCARB1 Q8WTV0 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAOB P27338 2/20 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
SCHEMBL22561533 1.00 TSHR (0.35) TSHRSIGMAR1MEN1KMT2AALDH1A1
SCHEMBL15700605 1.00 TSHR (0.35) TSHRSIGMAR1MEN1KMT2AALDH1A1
SCHEMBL17148729 0.78
SCHEMBL20047052 0.73 TSHR (0.32) TSHRMAOBMAOA
SCHEMBL7519293 0.73 SIGMAR1 (0.44) TSHRSIGMAR1ALDH1A1HTTKDM4E
SCHEMBL31275518 0.73 SIGMAR1 (0.44) TSHRSIGMAR1ALDH1A1HTTKDM4E
SCHEMBL31089138 0.70
SCHEMBL3105690 0.70 SIGMAR1 (0.38) TSHRSIGMAR1MEN1KMT2AALDH1A1
SCHEMBL21670221 0.70 MAOB (0.31) TSHRMAOB
SCHEMBL24443744 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240165121-A1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2024-05-23 US disclosed
US-11642348-B2 Substituted benzene compounds Epizyme, Inc. (US) 2023-05-09 US disclosed
US-11642348-B2 Substituted benzene compounds Epizyme, Inc. (US) 2023-05-09 US disclosed
US-11642348-B2 Substituted benzene compounds Epizyme, Inc. (US) 2023-05-09 US disclosed
US-20210060027-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2021-03-04 US disclosed
US-20210060027-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2021-03-04 US disclosed
EP-3725314-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2020-10-21 EP disclosed
EP-2906537-B1 SUBSTITUTED BENZENE COMPOUNDS EPIZYME INC (US) 2020-03-11 EP disclosed
US-10092572-B2 Substituted benzene compounds Epizyme, Inc. (US) 2018-10-09 US disclosed
US-20150284370-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2015-10-08 US disclosed
US-20150284370-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2015-10-08 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-20150284370-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL TSHR 4736/4885SIGMAR1 2168/4885MEN1 2339/4885
US-10092572-B2 Substituted benzene compounds CYP1B1, TP53, VHL TSHR 4736/4885SIGMAR1 2168/4885MEN1 2339/4885
US-20210060027-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL TSHR 4736/4885SIGMAR1 2168/4885MEN1 2339/4885
US-20240165121-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL TSHR 4736/4885SIGMAR1 2168/4885MEN1 2339/4885
US-11642348-B2 Substituted benzene compounds CYP1B1, TP53, VHL TSHR 4736/4885SIGMAR1 2168/4885MEN1 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.