SCHEMBL14200375

SCHEMBL14200375

CC(C)c1ccc(N2CCCN(C)CC2)c(C(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.43
NCF1 P14598 1/20 0.42
ALDH1A1 P00352 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 3/20 0.39
HTR6 P50406 3/20 0.39
MAPT P10636 2/20 0.39
POLB P06746 1/20 0.39
RAD52 P43351 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CHKA P35790 1/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
GAA P10253 1/20 0.36
MAPK1 P28482 1/20 0.36
HTT P42858 1/20 0.36
RECQL P46063 1/20 0.36
PTK2B Q14289 1/20 0.36
DRD4 P21917 1/20 0.36

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
SCHEMBL14200170 0.94 ALDH1A1 (0.46) HTR7ALDH1A1L3MBTL1KDM4EHTR6
SCHEMBL14200309 0.81 KDM4E (0.42) HTR7ALDH1A1L3MBTL1KDM4EHTR6
SCHEMBL9893479 0.80 PTGS1 (0.36) ALDH1A1GAAHTTRECQL
SCHEMBL13607124 0.78 KDM4E (0.56) ALDH1A1L3MBTL1KDM4EHTR6MAPT
SCHEMBL14924031 0.78 KDM4E (0.58) ALDH1A1L3MBTL1KDM4EHTR6MAPT
SCHEMBL12352558 0.78 ALDH1A1 (0.46) ALDH1A1L3MBTL1KDM4EHTR6MAPT
SCHEMBL16939771 0.78 LMNA (0.44) ALDH1A1L3MBTL1KDM4EHTR6MAPT
SCHEMBL14200403 0.77 GAA (0.47) ALDH1A1KDM4EHTR6MAPTRAD52
SCHEMBL12006585 0.76 MAPT (0.61) HTR7NCF1ALDH1A1L3MBTL1KDM4E
SCHEMBL20883739 0.76 ADRB1 (0.46) HTR6MAPTDRD2DRD3HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8778874-B2 Glycopeptide antibiotic monomer derivatives NATIONAL UNIVERSITY CORPORATION NAGOYA UNIVERSITY (JP) 2014-07-15 US disclosed
US-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria SHIONOGI & CO., LTD. (JP) 2008-04-24 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 (1 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-20080097078-A1 Antibacterial activity against vancomycin-resistant bacteria CSGALNACT1, MON2, NR2C2 HTR7 2898/4885NCF1 3292/4885ALDH1A1 2289/4885

“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.