SCHEMBL20135129

SCHEMBL20135129

Cc1cnc2c(c1)CCN2[C@H]1CCN(C(=O)OCc2ccccc2)C1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
USP30 Q70CQ3 1/20 0.45
CYP2C19 P33261 1/20 0.44
PDE4B Q07343 1/20 0.44
GRIN2B Q13224 5/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
TMEM97 Q5BJF2 3/20 0.42
SIGMAR1 Q99720 3/20 0.42
CHRM4 P08173 1/20 0.42
HTR1A P08908 1/20 0.42
CHRM5 P08912 1/20 0.42
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
HRH2 P25021 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR2A P28223 1/20 0.42

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
SCHEMBL20135132 1.00 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AUSP30CYP2C19
SCHEMBL20135283 0.77 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AUSP30CYP2C19
SCHEMBL20135281 0.77 SMN1; SMN2 (0.46) SMN1; SMN2NPC1RAB9AUSP30CYP2C19
SCHEMBL21841717 0.74 DHFR (0.58) TMEM97SIGMAR1CHRM4HTR1ACHRM5
SCHEMBL20135642 0.73 SMN1; SMN2 (0.50) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL19732302 0.73 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AUSP30CYP2C19
SCHEMBL18032527 0.72 SMN1; SMN2 (0.54) SMN1; SMN2NPC1RAB9AUSP30CYP2C19
SCHEMBL30773875 0.71 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AUSP30CYP2C19
SCHEMBL14529819 0.71 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9AUSP30CYP2C19
SCHEMBL171472 0.71 SMN1; SMN2 (0.58) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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-10407408-B2 Imide derivatives and use thereof as medicine MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-09-10 US disclosed
US-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2019-03-14 US disclosed
EP-3321256-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE Mitsubishi Tanabe Pharma Corporation (JP) 2018-05-16 EP 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-20190077787-A1 NOVEL IMIDE DERIVATIVES AND USE THEREOF AS MEDICINE MMP9, MMP10, MMP1 SMN1; SMN2 2532/4885NPC1 4881/4885RAB9A 270/4885
US-10407408-B2 Imide derivatives and use thereof as medicine MMP9, MMP2, MMP1 SMN1; SMN2 2476/4885NPC1 4882/4885RAB9A 345/4885

“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.