SCHEMBL13675156

SCHEMBL13675156

CCCN(CC(C)(C)C)c1ccc(F)cc1

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
THRB P10828 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
CNR2 P34972 5/20 0.38
TDP1 Q9NUW8 2/20 0.38
POLB P06746 1/20 0.38
APEX1 P27695 1/20 0.38
LMNA P02545 1/20 0.36
AR P10275 2/20 0.36
CNR1 P21554 4/20 0.35
RIPK1 Q13546 2/20 0.35
GRIA2 P42262 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL13673204 0.86 KDM4E (0.42) ALDH1A1KDM4EGAAMAPTTHRB
SCHEMBL13675162 0.84 ALDH1A1 (0.47) ALDH1A1KDM4EGAAMAPTTHRB
SCHEMBL13675157 0.79 CNR2 (0.40) ALDH1A1KDM4EGAAMAPTMAPK1
SCHEMBL18963419 0.72 KDM4E (0.44) ALDH1A1KDM4EGAAMAPTTHRB
SCHEMBL7150414 0.72 EGFR (0.47) ALDH1A1KDM4EGAAMAPTTHRB
SCHEMBL7249167 0.71 EGFR (0.43) ALDH1A1KDM4EGAAMAPTTHRB
SCHEMBL6984098 0.71 ALDH1A1 (0.66) ALDH1A1KDM4EGAAMAPTTHRB
SCHEMBL29335488 0.70 CNR2 (0.46) ALDH1A1KDM4EMAPTMAPK1CNR2
SCHEMBL22340909 0.70 CETP (0.46) MAPTCNR2LMNACNR1
SCHEMBL16219153 0.70 SLC6A2 (0.38) ALDH1A1KDM4EGAAMAPTTHRB

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-7608619-B2 Substituted oxazole compounds with analgesic activity GRUENENTHAL GMBH (DE) 2009-10-27 US disclosed
US-20090069330-A1 Substituted Oxazole Compounds with Analgesic Activity GRUENENTHAL GMBH (DE) 2009-03-12 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-20090069330-A1 Substituted Oxazole Compounds with Analgesic Activity OPRK1, OPRD1, OPRM1 ALDH1A1 6/4885KDM4E 2740/4885GAA 1591/4885

“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.