SCHEMBL9944853

SCHEMBL9944853

CCCN(C)c1cc(NC)c(N)cc1C(=O)NCC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 5/20 0.34
ALDH1A1 P00352 3/20 0.33
KDM4E B2RXH2 2/20 0.33
HPGD P15428 2/20 0.33
CA12 O43570 1/20 0.33
CA9 Q16790 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCZ Q05513 1/20 0.32
AOC1 P19801 1/20 0.32
HCAR3 P49019 1/20 0.32
LMNA P02545 2/20 0.32
CYP1A2 P05177 2/20 0.31
ADRA2A P08913 2/20 0.31
CYP2D6 P10635 2/20 0.31
DRD3 P35462 2/20 0.31
HTR3E A5X5Y0 1/20 0.31
SLC22A1 O15245 1/20 0.31
HTR3B O95264 1/20 0.31
MPO P05164 1/20 0.31
DRD2 P14416 1/20 0.31

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
SCHEMBL9944852 0.81 HCAR3 (0.46) ALDH1A1KDM4EHPGDCA12CA9
SCHEMBL9944839 0.80 ALOX15 (0.40) ALOX15ALDH1A1PRKCIMAPT
SCHEMBL9944845 0.78 ALOX15 (0.44) ALOX15ALDH1A1GAAMAPT
SCHEMBL9946813 0.77 PTGES (0.42) PRKCI
SCHEMBL9944850 0.73 PTGES (0.39) ALDH1A1LMNACYP1A2CYP2D6HTR2A
SCHEMBL9944996 0.72 EZH2 (0.37) ALOX15ALDH1A1KDM4EHPGDCA12
SCHEMBL9944975 0.71 HSD17B10 (0.40) ALDH1A1KDM4ELMNAGAAMAPT
SCHEMBL9944926 0.68 RAB9A (0.41) ALDH1A1CA12CA9LMNARAB9A
SCHEMBL9902462 0.68 KDM4E (0.35) ALDH1A1KDM4EPRKCIGAAMAPT
SCHEMBL9944782 0.67 RAB9A (0.42) RAB9A

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-8674113-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-03-18 US disclosed
US-20120149676-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 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-20120149676-A1 NOVEL COMPOUNDS PTGS1, PTGER1, PTGES ALOX15 106/4885ALDH1A1 126/4885KDM4E 3442/4885

“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.