SCHEMBL12374011

SCHEMBL12374011

CCn1c(C(C)N)cnc1Oc1ccc2ccccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.41
AGXT P21549 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
CYP1A2 P05177 1/20 0.37
CYP2A6 P11509 1/20 0.37
GRIK1 P39086 1/20 0.37
GRIK2 Q13002 1/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTT P42858 1/20 0.37
KMT2A Q03164 1/20 0.37
NOD2 Q9HC29 1/20 0.37
RAB9A P51151 3/20 0.37
NPC1 O15118 2/20 0.36
LMNA P02545 1/20 0.36
TP53 P04637 1/20 0.36
ALOX5 P09917 1/20 0.36
PPARG P37231 2/20 0.36
PPARA Q07869 2/20 0.36
GAA P10253 1/20 0.35

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
SCHEMBL12374023 0.88 MELK (0.38) LNPEPRAB9A
SCHEMBL12374006 0.87 LTA4H (0.38) CYP1A2ALDH1A1LMNA
SCHEMBL12374034 0.84 SMN1; SMN2 (0.36) SMN1; SMN2MEN1ALDH1A1HTTKMT2A
SCHEMBL12374001 0.83 SLC6A4 (0.38) CYP1A2MEN1ALDH1A1KMT2ARAB9A
SCHEMBL2280652 0.82 CYP3A4 (0.43) MEN1ALDH1A1KMT2ATP53
SCHEMBL2279090 0.82 MEN1 (0.44) MEN1KMT2AHTR2AHTR2CHTR2B
SCHEMBL2280041 0.82 MEN1 (0.36) MEN1ALDH1A1HTTKMT2ARAB9A
SCHEMBL12374028 0.81 TDP1 (0.31) ALDH1A1
SCHEMBL2281618 0.81 LTA4H (0.39) MEN1ALDH1A1KMT2A
SCHEMBL12373975 0.81 HTT (0.42) SMN1; SMN2CYP1A2MEN1ALDH1A1HTT

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 LNPEP 3741/4885AGXT 4503/4885SMN1; SMN2 3091/4885

“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.