SCHEMBL18409486

SCHEMBL18409486

Clc1ccc(N2CCN(Cc3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)CC2)cc1Cl

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 14/20 0.49
DRD2 P14416 10/20 0.49
DRD3 P35462 7/20 0.49
HTR1A P08908 4/20 0.49
ADRA1D P25100 2/20 0.49
ADRA1A P35348 2/20 0.49
ADRA1B P35368 2/20 0.49
DRD1 P21728 1/20 0.47
DRD5 P21918 1/20 0.47
ADRA2C P18825 1/20 0.45
HTR2A P28223 1/20 0.45
LMNA P02545 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
BCL2A1 Q16548 1/20 0.43

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
SCHEMBL18409297 0.86 DRD4 (0.44) DRD4DRD2DRD3HTR1AADRA1D
SCHEMBL18409487 0.86 DRD4 (0.60) DRD4DRD2DRD3HTR1ALMNA
SCHEMBL18409350 0.82 DRD4 (0.48) DRD4HTR1AADRA2CHTR2ALMNA
SCHEMBL22602388 0.82 DRD4 (0.62) DRD4DRD2DRD3HTR1AADRA2C
SCHEMBL18409353 0.81 MEN1 (0.54) DRD4DRD2DRD3HTR2ALMNA
SCHEMBL18409588 0.81 DRD4 (0.66) DRD4DRD2HTR1ALMNASMN1; SMN2
SCHEMBL18409483 0.80 DRD4 (0.50) DRD4DRD2DRD3HTR1ALMNA
SCHEMBL22602014 0.80 DRD4 (0.64) DRD4LMNASMN1; SMN2
SCHEMBL22602041 0.79 DRD4 (0.53) DRD4DRD2DRD3HTR1AADRA2C
SCHEMBL22602387 0.78 DRD4 (0.49) DRD4DRD2DRD3LMNASMN1; SMN2

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 DRD4 4787/4885DRD2 4797/4885DRD3 4793/4885
US-10844051-B2 Substituted oxazoles for the treatment of cancer OXA1L, PDCD1, MCL1 DRD4 4586/4885DRD2 4672/4885DRD3 4629/4885
US-20200339554-A1 COMPOUNDS AND USES THEREOF IN THE TREATMENT OF CANCERS AND OTHER MEDICAL CONDITIONS KRAS, NRAS, VHL DRD4 4249/4885DRD2 4653/4885DRD3 4524/4885

“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.