SCHEMBL1706545

SCHEMBL1706545

CCc1c(Oc2cccc(N3CCN(C)CC3)c2)ccnc1C(C)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH4 Q9H3N8 3/20 0.41
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
DCTPP1 Q9H773 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
PLOD2 O00469 1/20 0.39
PLOD3 O60568 1/20 0.39
PLOD1 Q02809 1/20 0.39
EGFR P00533 2/20 0.39
DRD2 P14416 1/20 0.39
AGXT P21549 1/20 0.39
NUAK1 O60285 1/20 0.39
NUAK2 Q9H093 1/20 0.39
ADRA2C P18825 1/20 0.39
HTR6 P50406 1/20 0.38
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL1705585 0.89 ADRA2C (0.41) HRH4CCNCCDK8DCTPP1NPC1
SCHEMBL1706540 0.83 HTR1A (0.41) HRH4CCNCCDK8DCTPP1NPC1
SCHEMBL1706908 0.82 PLOD2 (0.40) HRH4DCTPP1NPC1MAPTPLOD2
SCHEMBL1756052 0.81 PLOD2 (0.43) CCNCCDK8DCTPP1NPC1MAPT
SCHEMBL1706531 0.81 MEN1 (0.41) HRH4CCNCCDK8DCTPP1NPC1
SCHEMBL12156021 0.80 CCNC (0.40) HRH4CCNCCDK8DCTPP1NPC1
SCHEMBL12156234 0.77 SMN1; SMN2 (0.40) EGFRNUAK1NUAK2HTR6
SCHEMBL1706915 0.76 ADRA2C (0.40) HRH4DCTPP1NPC1MAPTPLOD2
SCHEMBL1705599 0.75 NPC1 (0.41) HRH4DCTPP1NPC1MAPTPLOD2
SCHEMBL2279406 0.72 HTR2C (0.43) NPC1MAPTEGFRDRD2AGXT

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 8 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-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
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 HRH4 103/4885CCNC 4091/4885CDK8 3359/4885

“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.