SCHEMBL17065387

SCHEMBL17065387

OC1(CNCc2ccccc2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
DPP7 Q9UHL4 4/20 0.44
MAOA P21397 1/20 0.42
THRB P10828 1/20 0.42
IDO1 P14902 1/20 0.42
CHRM2 P08172 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
DRD4 P21917 1/20 0.39
CD274 Q9NZQ7 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
SCHEMBL7277140 0.98 MEN1 (0.45) MEN1KMT2ATDP1DPP7MAOA
SCHEMBL26126158 0.96 MEN1 (0.47) MEN1KMT2ATDP1DPP7MAOA
SCHEMBL19585998 0.92 MEN1 (0.50) MEN1KMT2ATDP1DPP7MAOA
SCHEMBL17065366 0.84 KDM4E (0.43) MEN1KMT2ATDP1MAOATHRB
SCHEMBL12492922 0.84 TACR1 (0.46) MEN1KMT2ATDP1MAOATHRB
SCHEMBL10641408 0.82 CD274 (0.45) MEN1KMT2ATDP1DPP7CD274
SCHEMBL23023179 0.81 MEN1 (0.52) MEN1KMT2ATDP1DPP7MAOA
SCHEMBL2006407 0.80 GAA (0.40) GAA
SCHEMBL18785455 0.80 DPP7 (0.43) MEN1KMT2ATDP1DPP7DRD4
SCHEMBL3672031 0.80 GAA (0.40) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3113780-B1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-08-14 EP disclosed
EP-3113780-B1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME (US) 2019-08-14 EP disclosed
US-9994587-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-12 US disclosed
US-9994587-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-12 US disclosed
US-9994587-B2 HIV protease inhibitors MERCK SHARP & DOHME CORP. (US) 2018-06-12 US disclosed
US-20170217986-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-03 US disclosed
US-20170217986-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-03 US disclosed
US-20170217986-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2017-08-03 US disclosed
EP-3113780-A1 HIV PROTEASE INHIBITORS Merck Sharp & Dohme Corp. (US) 2017-01-11 EP disclosed
WO-2015134366-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-11 WO disclosed
WO-2015134366-A1 HIV PROTEASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2015-09-11 WO 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-20170217986-A1 HIV PROTEASE INHIBITORS CTSV, PRSS1, PREP MEN1 1157/4885KMT2A 320/4885TDP1 2057/4885

“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.