SCHEMBL12373988

SCHEMBL12373988

CCn1c(C(C)N)cnc1Oc1cccc(N2CCOCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGXT P21549 1/20 0.40
METAP2 P50579 1/20 0.40
F10 P00742 1/20 0.40
DHFR P00374 2/20 0.39
TTK P33981 1/20 0.37
CSF1R P07333 1/20 0.37
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
KMO O15229 1/20 0.37
MAPT P10636 3/20 0.36
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 1/20 0.36
RAB9A P51151 1/20 0.36
ALKBH1 Q13686 1/20 0.36
LMNA P02545 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
CCND2 P30279 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
SCHEMBL12374014 0.90 F10 (0.39) AGXTF10DHFRMAPTNPC1
SCHEMBL2276431 0.88 ADRA2C (0.41) AGXTDHFRMAPTNPC1ALDH1A1
SCHEMBL12162215 0.83 AGXT (0.42) AGXTMETAP2F10DHFRCSF1R
SCHEMBL2280652 0.82 CYP3A4 (0.43) MAPTALDH1A1MEN1KMT2AKDM4E
SCHEMBL12374006 0.79 LTA4H (0.38) PTGS1ALDH1A1LMNA
SCHEMBL2279406 0.78 HTR2C (0.43) AGXTMAPTNPC1ALDH1A1RAB9A
SCHEMBL12373795 0.78 S1PR1 (0.49) PTGS1PTGS2ALDH1A1
SCHEMBL12374025 0.77 PSMB1 (0.47) NPC1ALDH1A1RAB9ALMNAMEN1
SCHEMBL12374016 0.77 F10 (0.40) F10MAPTALDH1A1LMNAKDM4E
SCHEMBL12373986 0.77 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 AGXT 4503/4885METAP2 3400/4885F10 1721/4885

“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.