SCHEMBL16285651

SCHEMBL16285651

CC(C)C1C(=O)c2ccccc2N(C)C1(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 5/20 0.40
HPGD P15428 3/20 0.40
TTR P02766 1/20 0.36
CES1 P23141 1/20 0.36
MAPT P10636 4/20 0.35
LMNA P02545 3/20 0.35
HTT P42858 1/20 0.35
CACNA1B Q00975 1/20 0.35
APBA1 Q02410 1/20 0.35
NR1H3 Q13133 2/20 0.35
CCKBR P32239 1/20 0.34
DRD2 P14416 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
KMT2A Q03164 3/20 0.33
GAA P10253 2/20 0.33
MEN1 O00255 2/20 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
SCHEMBL10345602 0.81 NR1H3 (0.35) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL16286120 0.78 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDTTRCES1
SCHEMBL3368766 0.69 MEN1 (0.35) ALDH1A1KDM4EHPGDCES1MAPT
SCHEMBL13391522 0.67 KDM4E (0.57) ALDH1A1KDM4EHPGDTTRCES1
Iodide SCHEMBL29133261 0.67 GAA (0.39) ALDH1A1KDM4EHPGDMAPTLMNA
SCHEMBL17275723 0.66 ALDH1A1 (0.50) ALDH1A1KDM4EHPGDTTRCES1
SCHEMBL15216876 0.66 ALDH1A1 (0.41) ALDH1A1KDM4EHPGDTTRCES1
SCHEMBL15216880 0.66 IDO1 (0.39) ALDH1A1HPGDMAPTKMT2AMEN1
SCHEMBL15216879 0.66 ACHE (0.43) ALDH1A1KDM4EMAPTLMNAHTT
SCHEMBL15216881 0.66 ALDH1A1 (0.42) ALDH1A1KDM4EHPGDMAPTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 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-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A ALDH1A1 2796/4885KDM4E 3382/4885HPGD 2207/4885

“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.