SCHEMBL1706513

SCHEMBL1706513

CCc1c(C(C)N)ccnc1Oc1cccc(N2CCOCC2)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.43
AGXT P21549 1/20 0.40
PLOD2 O00469 2/20 0.38
PLOD3 O60568 2/20 0.38
PLOD1 Q02809 2/20 0.38
ITK Q08881 2/20 0.37
CSF1R P07333 2/20 0.37
DCTPP1 Q9H773 1/20 0.36
DHFR P00374 1/20 0.36
TGFBR1 P36897 1/20 0.36
NPC1 O15118 1/20 0.36
MAPT P10636 1/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
PLK4 O00444 1/20 0.35
JMJD6 Q6NYC1 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
SCHEMBL1706915 0.89 ADRA2C (0.40) AGXTPLOD2PLOD3PLOD1DCTPP1
SCHEMBL3103456 0.88 F10 (0.40) F10AGXTPLOD2PLOD3PLOD1
SCHEMBL3103446 0.88 F10 (0.44) F10AGXTPLOD2PLOD3PLOD1
SCHEMBL12156362 0.81 S1PR1 (0.42) CSF1RMAPTKDM4EALDH1A1HTT
SCHEMBL12156366 0.80 S1PR1 (0.43) MAPTKDM4EALDH1A1HTTPTGS1
SCHEMBL3083731 0.79 F10 (0.46) F10AGXTPLOD2PLOD3PLOD1
SCHEMBL12156365 0.79 CTSA (0.38) F10PLOD2PLOD3PLOD1CSF1R
SCHEMBL12156367 0.79 BRD4 (0.41) F10PLOD2PLOD3PLOD1MAPT
SCHEMBL12156381 0.79 S1PR1 (0.51) MAPTKDM4EALDH1A1HTTPTGS1
SCHEMBL12156369 0.79 MMP2 (0.47) CSF1RMAPTKDM4EALDH1A1HTT

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 4 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-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 F10 1551/4885AGXT 4314/4885PLOD2 3389/4885

“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.