SCHEMBL12374054

SCHEMBL12374054

CCn1c(C(C)N)cnc1Oc1ccc(OCCN(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.48
CDK4 P11802 1/20 0.43
CCND1 P24385 1/20 0.43
CCND2 P30279 1/20 0.43
CCND3 P30281 1/20 0.43
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
MAPT P10636 3/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2D6 P10635 2/20 0.40
MEN1 O00255 2/20 0.40
ESR1 P03372 2/20 0.40
TP53 P04637 2/20 0.40
CYP3A4 P08684 2/20 0.40
KMT2A Q03164 2/20 0.40
ESR2 Q92731 2/20 0.40
NPC1 O15118 1/20 0.40
NR1I2 O75469 1/20 0.40
PRKD3 O94806 1/20 0.40
ABCB11 O95342 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
SCHEMBL12374001 0.83 SLC6A4 (0.38) LTA4HCDK4CCND1CCND2CCND3
SCHEMBL2280041 0.82 MEN1 (0.36) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL12374006 0.82 LTA4H (0.38) LTA4HCYP1A2CYP3A4PTGS1CYP2C19
SCHEMBL12162217 0.82 LTA4H (0.46) LTA4HCDK4CCND1CCND2CCND3
SCHEMBL12373975 0.81 HTT (0.42) LTA4HCDK4CCND1CCND2CCND3
SCHEMBL2281618 0.81 LTA4H (0.39) LTA4HMAPTCYP2D6MEN1KMT2A
SCHEMBL12374025 0.78 PSMB1 (0.47) LTA4HCYP1A2MEN1KMT2ANPC1
SCHEMBL12373991 0.78 ADORA1 (0.35) MAPTKMT2AADORA1
SCHEMBL12374034 0.77 SMN1; SMN2 (0.36) MAPTMEN1TP53KMT2AHTR2A
SCHEMBL12374011 0.76 LNPEP (0.41) CYP1A2MEN1TP53KMT2ANPC1

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 LTA4H 2652/4885CDK4 4556/4885CCND1 3697/4885

“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.