SCHEMBL1706531

SCHEMBL1706531

CCc1c(Oc2cccc(N3CCN(C)CC3)c2)ccnc1C#N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD2 P14416 3/20 0.41
CCNC P24863 1/20 0.41
CDK8 P49336 1/20 0.41
MAPT P10636 3/20 0.41
ALDH1A1 P00352 2/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
GFER P55789 1/20 0.41
DCTPP1 Q9H773 1/20 0.41
LMNA P02545 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ADRA2C P18825 1/20 0.40
AGXT P21549 1/20 0.40
TSHR P16473 1/20 0.40
MET P08581 1/20 0.40
DRD3 P35462 1/20 0.40
HTR6 P50406 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
SCHEMBL12156021 0.81 CCNC (0.40) MEN1KMT2ADRD2CCNCCDK8
SCHEMBL1705585 0.81 ADRA2C (0.41) MEN1KMT2ADRD2CCNCCDK8
SCHEMBL1706545 0.81 HRH4 (0.41) MEN1KMT2ADRD2CCNCCDK8
SCHEMBL1756052 0.81 PLOD2 (0.43) DRD2CCNCCDK8MAPTALDH1A1
SCHEMBL1705599 0.76 NPC1 (0.41) MEN1KMT2ADRD2MAPTNPC1
SCHEMBL1706540 0.74 HTR1A (0.41) DRD2CCNCCDK8NPC1DCTPP1
SCHEMBL1706908 0.73 PLOD2 (0.40) MEN1KMT2ADRD2MAPTNPC1
SCHEMBL1706915 0.73 ADRA2C (0.40) MEN1KMT2ADRD2MAPTNPC1
SCHEMBL12251546 0.71 ADRA2C (0.57) MEN1KMT2ADRD2MAPTALDH1A1
SCHEMBL2599592 0.67 ADRA2C (0.49) MEN1KMT2ADRD2MAPTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2177512-B1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO LTD (JP) 2012-04-18 EP disclosed
US-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US disclosed
US-8048898-B2 Inhibitor of binding of S1P1 TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-11-01 US disclosed
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 US disclosed
US-20100234594-A1 INHIBITOR OF BINDING OF S1P1 TAISHO PHARMACEUTICAL CO., LTD. (JP) 2010-09-16 US disclosed
EP-2177512-A1 INHIBITOR OF BINDING OF S1P1 Taisho Pharmaceutical Co. Ltd. (JP) 2010-04-21 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 (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-20100234594-A1 INHIBITOR OF BINDING OF S1P1 S1PR1, S1PR3, EDNRB MEN1 1832/4885KMT2A 4149/4885DRD2 1023/4885

“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.