SCHEMBL12407146

SCHEMBL12407146

CN1CCCC1CCNC(=O)c1coc(CNC(=O)COc2ccc(OC(F)(F)F)cc2)n1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CACNA1G O43497 1/20 0.48
CACNA1H O95180 1/20 0.48
CACNA1I Q9P0X4 1/20 0.48
PDE3B Q13370 1/20 0.43
PDE3A Q14432 1/20 0.43
ACKR3 P25106 3/20 0.43
CHRM3 P20309 1/20 0.42
CACNA1B Q00975 1/20 0.41
APBA1 Q02410 1/20 0.41
MCHR1 Q99705 3/20 0.40
HTR2C P28335 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40
TAOK1 Q7L7X3 1/20 0.40
TAOK3 Q9H2K8 1/20 0.40
TRPV1 Q8NER1 3/20 0.39
NOS2 P35228 1/20 0.38
ALDH1A1 P00352 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37

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
SCHEMBL12407140 0.86 CACNA1G (0.53) CACNA1GCACNA1HCACNA1IMCHR1ALDH1A1
SCHEMBL12407150 0.86 MCHR1 (0.52) CACNA1GCACNA1HCACNA1IACKR3MCHR1
SCHEMBL12407135 0.82 CACNA1G (0.47) CACNA1GCACNA1HCACNA1ITAOK1TAOK3
SCHEMBL5668199 0.79 TAS1R3 (0.46) CACNA1GCACNA1HCACNA1IMCHR1TAOK1
SCHEMBL5668410 0.79 LTA4H (0.48) CACNA1GCACNA1HCACNA1ITRPV1SMN1; SMN2
SCHEMBL5669931 0.78 ALDH1A1 (0.52) CACNA1GCACNA1HCACNA1IMCHR1ALDH1A1
SCHEMBL2172285 0.78 CACNA1G (0.45) CACNA1GCACNA1HCACNA1IMCHR1TAOK1
SCHEMBL2171492 0.77 TRPV1 (0.56) CACNA1GCACNA1HCACNA1ITRPV1
SCHEMBL5667686 0.77 CACNA1G (0.46) CACNA1GCACNA1HCACNA1IMCHR1HTR2C
SCHEMBL4385574 0.76 MCHR1 (0.44) CACNA1GCACNA1HCACNA1IMCHR1HRH3

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-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-7973061-B2 Anaplastic lymphoma kinase modulators and methods of use EXELIXIS, INC. (US) 2011-07-05 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US disclosed
US-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE EXELIXIS, INC. (US) 2009-07-23 US 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-20090186905-A1 ANAPLASTIC LYMPHOMA KINASE MODULATORS AND METHODS OF USE ALK, BCL3, MCL1 CACNA1G 4004/4885CACNA1H 4347/4885CACNA1I 4036/4885

“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.