SCHEMBL4038817

SCHEMBL4038817

CC(C)c1ccc(C(=O)C2CCNCC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
CYP2D6 P10635 1/20 0.66
KMT2A Q03164 1/20 0.66
MGLL Q99685 9/20 0.53
FAAH O00519 1/20 0.52
SLC6A2 P23975 3/20 0.44
SLC6A4 P31645 3/20 0.44
SLC6A3 Q01959 3/20 0.44
OPRD1 P41143 1/20 0.43
HTT P42858 1/20 0.42

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
SCHEMBL2923177 0.88 MGLL (0.56) MEN1CYP2D6KMT2AMGLLFAAH
SCHEMBL3596868 0.84 SRD5A2 (0.54) MEN1KMT2AMGLLFAAH
SCHEMBL5246296 0.83 MEN1 (0.53) MEN1CYP2D6KMT2AMGLLOPRD1
Hydrochloric Acid SCHEMBL5244276 0.81 MEN1 (0.55) MEN1CYP2D6KMT2AMGLLSLC6A2
SCHEMBL18203121 0.81 MEN1 (0.67) MEN1CYP2D6KMT2AMGLL
SCHEMBL1582773 0.81 KMT2A (0.96) MEN1CYP2D6KMT2AMGLLHTT
SCHEMBL654532 0.81 MEN1 (0.67) MEN1CYP2D6KMT2AMGLL
Hydrochloric Acid SCHEMBL2366330 0.79 KMT2A (1.00) MEN1CYP2D6KMT2AMGLLHTT
Hydrochloric Acid SCHEMBL229430 0.79 MEN1 (0.70) MEN1CYP2D6KMT2AMGLL
Bromide SCHEMBL10968871 0.79 KMT2A (0.93) MEN1CYP2D6KMT2AMGLLHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-06-02 US disclosed
US-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2022-05-26 US disclosed
EP-1323716-B1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS TAKEDA PHARMACEUTICAL (JP) 2009-01-14 EP disclosed
US-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells TAKEDA PHARMACEUTICAL COMPANY LTD. (JP) 2009-01-08 US disclosed
US-7008950-B1 Benzofurans as suppressors of neurodegeneration TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2006-03-07 US disclosed
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-02-19 US disclosed
EP-1323716-A1 PROMOTERS FOR THE PROLIFERATION AND DIFFERENTIATION OF STEM CELLS AND/OR NEURON PRECURSOR CELLS Takeda Chemical Industries, Ltd. (JP) 2003-07-02 EP disclosed
EP-0988289-A2 HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Pharmaceutical Company Limited (JP) 2000-03-29 EP disclosed
WO-1998055454-A2 BENZOFURANS AND BENZOTHOPHENES AS SUPPRESSORS OF NEURODEGENERATION TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-10 WO disclosed
US-5021428-A Novel chemical compounds for the prophylactic treatment of migraine MERRELL DOW PHARMACEUTICALS INC. (US) 1991-06-04 US disclosed
US-4912117-A Therapy for varient angina MERRELL DOW PHARMACEUTICALS INC. (US) 1990-03-27 US disclosed
EP-0208235-B1 N-ARALKYL PIPERIDINEMETHANOL DERIVATIVES MERRELL DOW PHARMACEUTICALS INC. (US) 1990-01-10 EP disclosed
EP-0208235-A1 N-Aralkyl piperidinemethanol derivatives MERRELL DOW PHARMACEUTICALS INC. (US) 1987-01-14 EP 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 (4 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-20090012081-A1 Agents for promoting the proliferation or differentiation of stem cells or neural progenitor cells NES, MKI67, CCNO MEN1 2906/4885CYP2D6 3345/4885KMT2A 1061/4885
US-20220162229-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, NME1 MEN1 326/4885CYP2D6 2748/4885KMT2A 2106/4885
US-20220168313-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF WEE1, WEE2, VHL MEN1 419/4885CYP2D6 1100/4885KMT2A 2073/4885
US-20040034049-A1 Promoters for the proliferation and differentiation of stem cells and/or neuron precursor cells NES, HAT1, PROX1 MEN1 3718/4885CYP2D6 2785/4885KMT2A 451/4885

“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.