SCHEMBL18409482

SCHEMBL18409482

OC1(c2ccccc2)CCN(Cc2nc(-c3cccc(F)c3)c(-c3cccc(F)c3)[nH]2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.45
POLB P06746 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MAPK13 O15264 1/20 0.42
RAF1 P04049 1/20 0.42
MAPK12 P53778 1/20 0.42
MAPK11 Q15759 1/20 0.42
MAPK14 Q16539 1/20 0.42
OPRM1 P35372 1/20 0.42
OPRD1 P41143 1/20 0.42
OPRK1 P41145 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
DRD2 P14416 4/20 0.40
DRD4 P21917 3/20 0.40
DRD3 P35462 3/20 0.40
CCR3 P51677 1/20 0.40
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
CYP2D6 P10635 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL18409491 0.89 OPRL1 (0.57) OPRL1KDM4EOPRM1OPRD1OPRK1
SCHEMBL18409662 0.83 DRD2 (0.47) KDM4EMAPK13RAF1MAPK12MAPK11
SCHEMBL18409497 0.82 DRD2 (0.52) OPRL1POLBKDM4EMAPK13RAF1
SCHEMBL18409591 0.81 OPRL1 (0.57) OPRL1KDM4EOPRM1OPRD1OPRK1
SCHEMBL18409305 0.81 DRD4 (0.51) MAPK13RAF1MAPK12MAPK11MAPK14
SCHEMBL18409484 0.80 OPRL1 (0.51) OPRL1POLBKDM4EMAPK13RAF1
SCHEMBL18409622 0.79 DRD2 (0.51) KDM4EMAPK13RAF1MAPK12MAPK11
SCHEMBL18409476 0.79 ALDH1A1 (0.49) KDM4ECYP2D6MAPK1ALDH1A1
SCHEMBL18409490 0.78 DRD4 (0.51) POLBKDM4EMAPK13RAF1MAPK12
SCHEMBL18409352 0.78 DRD4 (0.46) KDM4EDRD2DRD4DRD3ALDH1A1

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-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-20200339554-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) 2020-10-29 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 (3 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 OPRL1 3419/4885POLB 1996/4885KDM4E 2588/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 OPRL1 2787/4885POLB 784/4885KDM4E 1465/4885
US-20200339554-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS KRAS, NRAS, VHL OPRL1 4207/4885POLB 1064/4885KDM4E 2947/4885

“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.