SCHEMBL12374025

SCHEMBL12374025

CCn1c(C(C)N)cnc1Oc1ccc(OCCN2CCOCC2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPK1 P28482 2/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM1 P11229 1/20 0.47
HTR2A P28223 1/20 0.47
SCN1A P35498 1/20 0.47
HTR2B P41595 1/20 0.47
KCNH2 Q12809 1/20 0.47
SCN2A Q99250 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
SCN3A Q9NY46 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
GAA P10253 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
LTA4H P09960 4/20 0.46

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
SCHEMBL12162219 0.84 ALDH1A1 (0.48) PSMB1PSMB5NPC1RAB9AALDH1A1
SCHEMBL12374053 0.82 HRH3 (0.47) NPC1RAB9AALDH1A1MAPK1CYP1A2
SCHEMBL12374001 0.78 SLC6A4 (0.38) NPC1RAB9AALDH1A1CYP1A2HTR2A
SCHEMBL12374054 0.78 LTA4H (0.48) PSMB1PSMB5NPC1RAB9AALDH1A1
SCHEMBL12373988 0.77 AGXT (0.40) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL12373841 0.77 ALDH1A1 (0.46) NPC1ALDH1A1SIGMAR1HRH3GAA
SCHEMBL2280041 0.77 MEN1 (0.36) NPC1RAB9AALDH1A1GAAKDM4E
SCHEMBL2281618 0.76 LTA4H (0.39) ALDH1A1LTA4HMEN1KMT2A
SCHEMBL14577989 0.74 NPC1 (0.69) NPC1RAB9AALDH1A1MAPK1CYP1A2
SCHEMBL12374034 0.72 SMN1; SMN2 (0.36) RAB9AALDH1A1HTR2AKCNH2SMN1; SMN2

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 PSMB1 3779/4885PSMB5 4130/4885NPC1 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.