SCHEMBL10137346

SCHEMBL10137346

CN1CCN(c2cnc(B3OC(C)(C)C(C)(C)O3)cn2)CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 8/20 0.40
HTR3A P46098 5/20 0.40
HRH3 Q9Y5N1 2/20 0.35
HTR3E A5X5Y0 3/20 0.33
HTR3B O95264 3/20 0.33
HTR3D Q70Z44 3/20 0.33
HTR3C Q8WXA8 3/20 0.33
MET P08581 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALOX15 P16050 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL12731410 0.88 MAPT (0.36) ALDH1A1
SCHEMBL31372447 0.85 ALDH1A1 (0.40) ALDH1A1CYP1A2ALOX15HSD17B10
SCHEMBL12731668 0.85 ALDH1A1 (0.40) ALDH1A1CYP1A2ALOX15HSD17B10
SCHEMBL24894908 0.83 MAPT (0.32) HRH3
SCHEMBL19867589 0.83 MAPT (0.43) HRH3ALDH1A1ALOX15
SCHEMBL10169023 0.81 HRH4 (0.35) HRH4HTR3AHRH3METALDH1A1
SCHEMBL10137347 0.78 HRH4 (0.39) HRH4HTR3AHRH3HTR3EHTR3B
SCHEMBL578540 0.78 HTR3A (0.42) HRH4HTR3AHRH3HTR3EHTR3B
SCHEMBL29542633 0.78 HTR3A (0.42) HRH4HTR3AHRH3HTR3EHTR3B
SCHEMBL25473799 0.78 LRRK2 (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 18 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-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
US-20150284370-A1 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. 2015-10-08 US disclosed
WO-2014062733-A2 SUBSTITUTED BENZENE COMPOUNDS Epizyme, Inc. (US) 2014-04-24 WO disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-20120208792-A1 PROTEIN KINASE MODULATORS CYLENE PHARMACEUTICALS, INC. (US) 2012-08-16 US disclosed
US-8168651-B2 Protein kinase modulators CYLENE PHARMACEUTICALS, INC. (US) 2012-05-01 US disclosed
US-20090239859-A1 PROTEIN KINASE MODULATORS SENHWA BIOSCIENCES, INC. (TW) 2009-09-24 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 (7 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 HRH4 911/4885HTR3A 2158/4885HRH3 1485/4885
US-10092572-B2 Substituted benzene compounds CYP1B1, TP53, VHL HRH4 911/4885HTR3A 2158/4885HRH3 1485/4885
US-20210060027-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL HRH4 911/4885HTR3A 2158/4885HRH3 1485/4885
US-20240165121-A1 SUBSTITUTED BENZENE COMPOUNDS CYP1B1, TP53, VHL HRH4 911/4885HTR3A 2158/4885HRH3 1485/4885
US-20120208792-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 HRH4 4420/4885HTR3A 4233/4885HRH3 4273/4885
US-20090239859-A1 PROTEIN KINASE MODULATORS PIM1, PIM2, PIM3 HRH4 4420/4885HTR3A 4233/4885HRH3 4273/4885
US-11642348-B2 Substituted benzene compounds CYP1B1, TP53, VHL HRH4 911/4885HTR3A 2158/4885HRH3 1485/4885

“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.