SCHEMBL12374078

SCHEMBL12374078

CCn1c(C(C)N)cnc1OCCCN1CCN(C)CC1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.40
NPC1 O15118 1/20 0.40
HRH3 Q9Y5N1 4/20 0.39
DRD3 P35462 1/20 0.38
MAPK1 P28482 1/20 0.38
ALDH1A1 P00352 3/20 0.36
USP2 O75604 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 1/20 0.36
POLB P06746 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL12374053 0.88 HRH3 (0.47) RAB9ANPC1HRH3MAPK1ALDH1A1
SCHEMBL12374075 0.79 LNPEP (0.32) ALDH1A1
SCHEMBL12374035 0.76 CDK4 (0.30)
SCHEMBL12374074 0.75 ALDH1A1 (0.32) ALDH1A1
SCHEMBL12374050 0.75
SCHEMBL12374073 0.73 TAAR1 (0.31)
SCHEMBL12373952 0.73 S1PR1 (0.43) ALDH1A1KDM4EKMT2A
SCHEMBL12374042 0.72 NPSR1 (0.31)
SCHEMBL2276431 0.71 ADRA2C (0.41) RAB9ANPC1ALDH1A1
SCHEMBL12374025 0.71 PSMB1 (0.47) RAB9ANPC1HRH3MAPK1ALDH1A1

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 RAB9A 2826/4885NPC1 335/4885HRH3 141/4885

“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.