SCHEMBL5649593

SCHEMBL5649593

CC(C)Oc1ccccc1NCCN

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.46
CA3 P07451 1/20 0.46
CA4 P22748 1/20 0.46
CA6 P23280 1/20 0.46
CA5A P35218 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
CA5B Q9Y2D0 1/20 0.46
ALDH1A1 P00352 2/20 0.45
TSHR P16473 1/20 0.45
RECQL P46063 1/20 0.45
HSD17B10 Q99714 1/20 0.45
CHRM2 P08172 1/20 0.41
IRAK4 Q9NWZ3 1/20 0.41
IDO1 P14902 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 1/20 0.39

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
SCHEMBL27506186 0.80 ALDH1A1 (0.42) ALDH1A1CHRM2IRAK4IDO1KDM4E
SCHEMBL5800488 0.80 CHRM2 (0.62) CA12CA3CA4CA6CA5A
SCHEMBL10885547 0.80 CA12 (0.53) CA12CA3CA4CA6CA5A
SCHEMBL5695850 0.79 ALDH1A1 (0.41) ALDH1A1CHRM2IRAK4IDO1KDM4E
SCHEMBL4860536 0.77 GAA (0.50) CA12CA3CA4CA6CA5A
SCHEMBL27636852 0.76 CA12 (0.46) CA12CA3CA4CA6CA5A
SCHEMBL2095784 0.76 ALDH1A1 (0.44) ALDH1A1IRAK4IDO1KDM4ELMNA
SCHEMBL31130258 0.76 IRAK4 (0.47) ALDH1A1IRAK4KDM4ELMNATDP1
SCHEMBL4925910 0.75 DRD3 (0.51) ALDH1A1KDM4EACHE
SCHEMBL28294998 0.74 CA12 (0.65) CA12CA3CA4CA6CA5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7915420-B2 Aryl piperidine amides JANSSEN PHARMACEUTICA NV (BE) 2011-03-29 US disclosed
US-20080009521-A1 Aryl Piperidine Amides HUANG CHARLES Q 2008-01-10 US disclosed
US-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US disclosed
US-7276610-B2 Aryl piperidine amides JANSSEN PHARACEUTICA, NV (BE) 2007-10-02 US disclosed
US-20050049239-A1 Aryl piperidine amides JANSSEN PHARMACEUTICA, N.V. (BE) 2005-03-03 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 (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-20080009521-A1 Aryl Piperidine Amides BDNF, NTRK2, OPRL1 CA12 4821/4885CA3 3759/4885CA4 4688/4885
US-20050049239-A1 Aryl piperidine amides BDNF, NTRK2, OPRL1 CA12 4821/4885CA3 3759/4885CA4 4688/4885

“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.