SCHEMBL18409373

SCHEMBL18409373

O=C(CC(O)(CCc1ccccc1)c1ccccc1)N1CCC(O)(c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
SIGMAR1 Q99720 1/20 0.48
CHRM4 P08173 3/20 0.46
OPRL1 P41146 2/20 0.46
POLB P06746 1/20 0.45
OPRM1 P35372 3/20 0.43
KCNA3 P22001 1/20 0.43
NPC1 O15118 2/20 0.42
CCR3 P51677 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL11612235 0.81 MEN1 (0.50) MEN1KMT2ACHRM4OPRL1POLB
SCHEMBL7381627 0.79 NPC1 (0.65) MEN1KMT2ASIGMAR1OPRL1POLB
SCHEMBL12702280 0.79 MEN1 (0.76) MEN1KMT2ASIGMAR1CHRM4OPRL1
SCHEMBL571239 0.77 SIGMAR1 (0.51) MEN1KMT2ASIGMAR1OPRL1POLB
SCHEMBL633413 0.77 SIGMAR1 (0.51) MEN1KMT2ASIGMAR1OPRL1POLB
SCHEMBL14655443 0.73 MEN1 (0.47) MEN1KMT2ACHRM4OPRL1POLB
SCHEMBL10760411 0.72 OPRM1 (0.66) MEN1KMT2AOPRL1POLBOPRM1
SCHEMBL8008494 0.71 SLC13A5 (0.53) MEN1KMT2AOPRM1ALDH1A1
SCHEMBL8008496 0.71 SLC13A5 (0.53) MEN1KMT2AOPRM1ALDH1A1
SCHEMBL795975 0.70 ALDH1A1 (0.56) MEN1KMT2ASIGMAR1OPRL1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10844051-B2 Substituted oxazoles for the treatment of cancer THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY 2020-11-24 US disclosed
US-20180208586-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2018-07-26 US disclosed
WO-2017011920-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS THE ROYAL INSTITUTION FOR THE ADVANCEMENT OF LEARNING/MCGILL UNIVERSITY (CA) 2017-01-26 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 (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-20180208586-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS VHL, TP53, CD44 MEN1 88/4885KMT2A 1901/4885SIGMAR1 4588/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 MEN1 2789/4885KMT2A 1214/4885SIGMAR1 3347/4885

“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.