SCHEMBL12374014

SCHEMBL12374014

CCn1c(C(C)N)cnc1Oc1cccc(N2CCCCC2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 1/20 0.39
MAPT P10636 3/20 0.38
NPC1 O15118 2/20 0.38
ALDH1A1 P00352 1/20 0.38
RAB9A P51151 1/20 0.38
DHFR P00374 2/20 0.38
DRD2 P14416 1/20 0.38
LNPEP Q9UIQ6 1/20 0.37
AGXT P21549 1/20 0.37
PRMT6 Q96LA8 1/20 0.36
ADRB1 P08588 1/20 0.35
KCNH2 Q12809 1/20 0.35
GFER P55789 2/20 0.35
KDM4E B2RXH2 1/20 0.35
THRB P10828 1/20 0.35
C1S P09871 1/20 0.34
CHRNB2 P17787 1/20 0.34
CHRNA4 P43681 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL2276431 0.91 ADRA2C (0.41) MAPTNPC1ALDH1A1RAB9ADHFR
SCHEMBL12373988 0.90 AGXT (0.40) F10MAPTNPC1ALDH1A1RAB9A
SCHEMBL2280652 0.85 CYP3A4 (0.43) MAPTALDH1A1KDM4EMEN1KMT2A
SCHEMBL12162312 0.82 F10 (0.40) F10MAPTNPC1ALDH1A1RAB9A
SCHEMBL12162298 0.82 F10 (0.40) F10MAPTNPC1ALDH1A1RAB9A
SCHEMBL12374006 0.82 LTA4H (0.38) ALDH1A1
SCHEMBL2279406 0.81 HTR2C (0.43) MAPTNPC1ALDH1A1RAB9ADRD2
SCHEMBL12374016 0.80 F10 (0.40) F10MAPTALDH1A1KDM4E
SCHEMBL12162304 0.80 TSHR (0.39) F10MAPTNPC1ALDH1A1RAB9A
SCHEMBL12373986 0.80 NPBWR1 (0.40) F10

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
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-7994204-B2 Binding inhibitor of sphingosine-1-phosphate TAISHO PHARMACEUTICAL CO., LTD (JP) 2011-08-09 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US disclosed
US-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE TAISHO PHARMACEUTICAL CO., LTD. (JP) 2009-07-16 US 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-20090182144-A1 BINDING INHIBITOR OF SPHINGOSINE-1-PHOSPHATE S1PR1, S1PR3, S1PR2 F10 1721/4885MAPT 3475/4885NPC1 335/4885

“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.