SCHEMBL1706540

SCHEMBL1706540

CCc1c(Oc2cccc(N3CCN(C)CC3)c2)ccnc1C(C)N1C(=O)c2ccccc2C1=O

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.41
DCLK1 O15075 5/20 0.39
LRRK2 Q5S007 5/20 0.39
MAPK7 Q13164 4/20 0.39
DCTPP1 Q9H773 1/20 0.39
BRD4 O60885 2/20 0.39
HTR6 P50406 3/20 0.38
DRD2 P14416 2/20 0.37
DRD3 P35462 2/20 0.37
DRD1 P21728 1/20 0.37
HTR2A P28223 2/20 0.36
HTR7 P34969 2/20 0.36
HTR2C P28335 2/20 0.36
HRH4 Q9H3N8 1/20 0.36
NPC1 O15118 1/20 0.35
CCNC P24863 1/20 0.35
CDK8 P49336 1/20 0.35

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
SCHEMBL1706539 0.85 HTR1A (0.40) HTR1ADCLK1LRRK2MAPK7DCTPP1
SCHEMBL1705585 0.83 ADRA2C (0.41) DCTPP1HTR6DRD2HRH4NPC1
SCHEMBL1706545 0.83 HRH4 (0.41) DCTPP1HTR6DRD2HRH4NPC1
SCHEMBL1756052 0.75 PLOD2 (0.43) HTR1ADCTPP1BRD4HTR6DRD2
SCHEMBL1706531 0.74 MEN1 (0.41) DCTPP1HTR6DRD2DRD3HRH4
SCHEMBL12156021 0.74 CCNC (0.40) DCTPP1HTR6DRD2HRH4NPC1
SCHEMBL12156234 0.73 SMN1; SMN2 (0.40) HTR1ABRD4HTR6DRD3HTR2A
SCHEMBL10080284 0.70 RAD52 (0.41) HTR1ABRD4HTR6DRD3HTR2A
SCHEMBL1706908 0.70 PLOD2 (0.40) DCTPP1DRD2HRH4NPC1
SCHEMBL1706915 0.70 ADRA2C (0.40) DCTPP1DRD2HRH4NPC1

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 HTR1A 437/4885DCLK1 1059/4885LRRK2 1128/4885

“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.