SCHEMBL1756052

SCHEMBL1756052

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLOD2 O00469 1/20 0.43
PLOD3 O60568 1/20 0.43
PLOD1 Q02809 1/20 0.43
DCTPP1 Q9H773 1/20 0.41
HTR6 P50406 1/20 0.40
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
BRD4 O60885 1/20 0.39
MAPT P10636 2/20 0.39
NPC1 O15118 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 1/20 0.39
HTR1B P28222 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
EGFR P00533 2/20 0.39
DRD2 P14416 1/20 0.39
AGXT P21549 1/20 0.39
VNN1 O95497 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
SCHEMBL1706545 0.81 HRH4 (0.41) PLOD2PLOD3PLOD1DCTPP1HTR6
SCHEMBL1706531 0.81 MEN1 (0.41) DCTPP1HTR6CCNCCDK8MAPT
SCHEMBL12156021 0.80 CCNC (0.40) PLOD2PLOD3PLOD1DCTPP1HTR6
SCHEMBL1705585 0.79 ADRA2C (0.41) PLOD2PLOD3PLOD1DCTPP1HTR6
SCHEMBL1705599 0.75 NPC1 (0.41) PLOD2PLOD3PLOD1DCTPP1MAPT
SCHEMBL1706540 0.75 HTR1A (0.41) DCTPP1HTR6CCNCCDK8BRD4
SCHEMBL1706908 0.74 PLOD2 (0.40) PLOD2PLOD3PLOD1DCTPP1MAPT
SCHEMBL2280749 0.72 VNN1 (0.43) PLOD2PLOD3PLOD1MAPTNPC1
SCHEMBL1706915 0.72 ADRA2C (0.40) PLOD2PLOD3PLOD1DCTPP1MAPT
SCHEMBL12251546 0.69 ADRA2C (0.57) BRD4MAPTHTR1AHTR1DHTR1B

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 PLOD2 3389/4885PLOD3 3261/4885PLOD1 1878/4885

“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.