SCHEMBL1706539

SCHEMBL1706539

CCc1c(C(C)N2C(=O)c3ccccc3C2=O)ccnc1Oc1cccc(N2CCN(C)CC2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.40
DCTPP1 Q9H773 1/20 0.38
HRH4 Q9H3N8 4/20 0.37
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
HTR6 P50406 2/20 0.36
HTR2C P28335 2/20 0.36
PLOD2 O00469 1/20 0.36
PLOD3 O60568 1/20 0.36
PLOD1 Q02809 1/20 0.36
DCLK1 O15075 2/20 0.36
LRRK2 Q5S007 2/20 0.36
MAPK7 Q13164 1/20 0.36
BRD4 O60885 1/20 0.35
NPC1 O15118 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
SCHEMBL1706540 0.85 HTR1A (0.41) HTR1ADCTPP1HRH4DRD2DRD3
SCHEMBL1706908 0.83 PLOD2 (0.40) DCTPP1HRH4DRD2PLOD2PLOD3
SCHEMBL1706915 0.83 ADRA2C (0.40) DCTPP1HRH4DRD2PLOD2PLOD3
SCHEMBL1705599 0.77 NPC1 (0.41) DCTPP1HRH4DRD2PLOD2PLOD3
SCHEMBL1705567 0.73 SMN1; SMN2 (0.40) HTR1AHRH4DRD3HTR2AHTR7
SCHEMBL1705603 0.73 SMN1; SMN2 (0.40) HTR1AHRH4DRD3HTR2AHTR7
SCHEMBL1706085 0.73 SMN1; SMN2 (0.40) HTR1AHRH4DRD3HTR2AHTR7
SCHEMBL1706513 0.72 F10 (0.43) DCTPP1PLOD2PLOD3PLOD1NPC1
SCHEMBL12156290 0.71 GUSB (0.38) HTR1AHRH4DRD3HTR2AHTR7
SCHEMBL3103456 0.71 F10 (0.40) DCTPP1PLOD2PLOD3PLOD1

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 437/4885DCTPP1 2715/4885HRH4 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.