SCHEMBL12374053

SCHEMBL12374053

CCn1c(C(C)N)cnc1OCCCN1CCOCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 7/20 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
USP2 O75604 2/20 0.46
LMNA P02545 1/20 0.46
CYP2D6 P10635 2/20 0.41
TSHR P16473 1/20 0.41
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40

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
SCHEMBL12374078 0.88 RAB9A (0.40) HRH3ALDH1A1MAPK1USP2MEN1
SCHEMBL12374025 0.82 PSMB1 (0.47) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL12374075 0.77 LNPEP (0.32) ALDH1A1LMNA
SCHEMBL12374035 0.74 CDK4 (0.30)
SCHEMBL12373869 0.74 SMN1; SMN2 (0.44) HRH3ALDH1A1SIGMAR1CYP2D6KMT2A
SCHEMBL12374074 0.74 ALDH1A1 (0.32) ALDH1A1
SCHEMBL12249755 0.72 SIGMAR1 (0.43) HRH3ALDH1A1MAPK1CYP1A2CHRM2
SCHEMBL12373988 0.71 AGXT (0.40) ALDH1A1LMNAMEN1NPC1RAB9A
SCHEMBL12374057 0.69 ALDH1A1 (0.39) ALDH1A1MAPK1SIGMAR1LMNATSHR
SCHEMBL12162219 0.68 ALDH1A1 (0.48) HRH3ALDH1A1MAPK1CYP1A2CHRM2

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 HRH3 141/4885ALDH1A1 2969/4885MAPK1 232/4885

“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.