SCHEMBL1706915

SCHEMBL1706915

CCc1c(C(C)N)ccnc1Oc1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.40
AGXT P21549 1/20 0.40
HRH4 Q9H3N8 5/20 0.40
DCTPP1 Q9H773 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
PLOD2 O00469 1/20 0.38
PLOD3 O60568 1/20 0.38
PLOD1 Q02809 1/20 0.38
DRD2 P14416 1/20 0.38
EGFR P00533 2/20 0.38
DHFR P00374 1/20 0.36
CACNA2D1 P54289 2/20 0.36
MEN1 O00255 1/20 0.36
GLA P06280 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
KDM4E B2RXH2 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
SCHEMBL1706908 0.90 PLOD2 (0.40) ADRA2CAGXTHRH4DCTPP1NPC1
SCHEMBL1706513 0.89 F10 (0.43) AGXTDCTPP1NPC1MAPTPLOD2
SCHEMBL1706539 0.83 HTR1A (0.40) HRH4DCTPP1NPC1PLOD2PLOD3
SCHEMBL1705599 0.83 NPC1 (0.41) ADRA2CAGXTHRH4DCTPP1NPC1
SCHEMBL1705585 0.82 ADRA2C (0.41) ADRA2CAGXTHRH4DCTPP1NPC1
SCHEMBL1705603 0.78 SMN1; SMN2 (0.40) HRH4EGFR
SCHEMBL1706085 0.78 SMN1; SMN2 (0.40) HRH4EGFR
SCHEMBL1705567 0.78 SMN1; SMN2 (0.40) HRH4EGFR
SCHEMBL3103456 0.77 F10 (0.40) AGXTDCTPP1PLOD2PLOD3PLOD1
SCHEMBL3103446 0.77 F10 (0.44) AGXTPLOD2PLOD3PLOD1

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 ADRA2C 747/4885AGXT 4314/4885HRH4 103/4885

“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.