SCHEMBL2517435

SCHEMBL2517435

Cc1cccn2c(I)c(C[C@]3(C(C)(C)C)CCCCN3C(=O)O)nc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.36
HPGD P15428 4/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
ALDH1A1 P00352 7/20 0.36
KMT2A Q03164 6/20 0.36
MEN1 O00255 4/20 0.36
KDM4E B2RXH2 3/20 0.36
MAPT P10636 3/20 0.36
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
HTT P42858 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
RXFP1 Q9HBX9 1/20 0.35
GAA P10253 3/20 0.35
LMNA P02545 1/20 0.34
HSD17B10 Q99714 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL2512523 0.90 SMN1; SMN2 (0.38) SMN1; SMN2HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL2124844 0.89 AKT1 (0.32)
SCHEMBL2124400 0.88 SMN1; SMN2 (0.36) SMN1; SMN2HPGDCYP1A2CYP3A4CYP2C19
SCHEMBL2123540 0.84 KMT2A (0.34) SMN1; SMN2HPGDCYP1A2CYP2C19ALDH1A1
SCHEMBL2120890 0.80 HCRTR1 (0.33) KMT2AMEN1TSHR
SCHEMBL2121865 0.78 KDM4E (0.46) SMN1; SMN2HPGDALDH1A1KDM4EMAPT
SCHEMBL2124331 0.77 ALDH1A1 (0.40) SMN1; SMN2HPGDCYP1A2CYP2C19ALDH1A1
SCHEMBL311517 0.72 AKT1 (0.31)
SCHEMBL2538401 0.70 KDM4E (0.33) SMN1; SMN2HPGDALDH1A1KDM4EMAPT
SCHEMBL2533055 0.69 KDM4E (0.35) SMN1; SMN2HPGDALDH1A1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379550-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS Glaxo Group Limited (GB) 2011-10-26 EP disclosed
US-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS GLAXO GROUP LIMITED (GB) 2011-10-20 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-20110257198-A1 PIPERIDINE DERIVATIVES USEFUL AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, VIPR2 SMN1; SMN2 2062/4885HPGD 732/4885CYP1A2 3216/4885

“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.