SCHEMBL4872154

SCHEMBL4872154

COc1cccc([C@]2(CN)CC[C@H](NCc3ccc(-c4ccccc4)cc3)CC2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
RAB9A P51151 1/20 0.48
OPRM1 P35372 2/20 0.45
OPRL1 P41146 2/20 0.45
DPP4 P27487 3/20 0.44
MAOB P27338 3/20 0.42
FAAH O00519 1/20 0.42
NAAA Q02083 1/20 0.42
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
AXL P30530 1/20 0.40
KDM1A O60341 2/20 0.39
MAOA P21397 1/20 0.39
SLC6A2 P23975 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP3 P08254 1/20 0.39
MMP13 P45452 1/20 0.39

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
SCHEMBL4872161 1.00 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ARAB9AOPRM1
SCHEMBL4872165 1.00 ALDH1A1 (0.48) ALDH1A1MEN1KMT2ARAB9AOPRM1
SCHEMBL5469887 0.94 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AOPRM1OPRL1
SCHEMBL5469892 0.94 ALDH1A1 (0.55) ALDH1A1MEN1KMT2AOPRM1OPRL1
SCHEMBL5470214 0.87 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ARAB9AOPRM1
SCHEMBL5470216 0.87 ALDH1A1 (0.46) ALDH1A1MEN1KMT2ARAB9AOPRM1
SCHEMBL14194850 0.86 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ARAB9AOPRM1
SCHEMBL14194851 0.86 ALDH1A1 (0.43) ALDH1A1MEN1KMT2ARAB9AOPRM1
SCHEMBL5466247 0.85 DPP4 (0.46) ALDH1A1MEN1KMT2ADPP4MAOB
SCHEMBL5466241 0.85 DPP4 (0.46) ALDH1A1MEN1KMT2ADPP4MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080096922-A1 Novel Sulfonamide derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2008-04-24 US disclosed
US-20070078120-A1 Novel piperidine derivative DAINIPPON SUMITOMO PHARMA CO., LTD. (JP) 2007-04-05 US disclosed
EP-1736467-A1 NOVEL SULFONAMIDE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-12-27 EP disclosed
EP-1679069-A1 NOVEL PIPERIDINE DERIVATIVE Dainippon Sumitomo Pharma Co., Ltd. (JP) 2006-07-12 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 (2 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-20080096922-A1 Novel Sulfonamide derivative NR4A1, NR4A2, NR4A3 ALDH1A1 2899/4885MEN1 3740/4885KMT2A 1132/4885
US-20070078120-A1 Novel piperidine derivative LDLR, PRMT5, MSR1 ALDH1A1 2990/4885MEN1 3200/4885KMT2A 1301/4885

“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.