SCHEMBL12374001

SCHEMBL12374001

CCn1c(C(C)N)cnc1Oc1ccc(OC)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CDK4 P11802 1/20 0.38
CCND1 P24385 1/20 0.38
CCND2 P30279 1/20 0.38
CCND3 P30281 1/20 0.38
NPBWR1 P48145 1/20 0.37
MCHR1 Q99705 1/20 0.37
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
MAPT P10636 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
LTA4H P09960 1/20 0.36
MAOA P21397 2/20 0.36
MAOB P27338 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
ALOX15 P16050 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
SCHEMBL2280041 0.90 MEN1 (0.36) ALDH1A1NPBWR1MCHR1NPC1MAPT
SCHEMBL12374006 0.90 LTA4H (0.38) ALDH1A1CYP1A2CYP3A4CYP2C19LTA4H
SCHEMBL12373975 0.89 HTT (0.42) ALDH1A1CDK4CCND1CCND2CCND3
SCHEMBL12373991 0.85 ADORA1 (0.35) MAPTKMT2A
SCHEMBL12374073 0.85 TAAR1 (0.31) CDK4CCND1CCND2CCND3
SCHEMBL12374034 0.84 SMN1; SMN2 (0.36) SLC6A4ALDH1A1MAPTRAB9ATDP1
SCHEMBL12374054 0.83 LTA4H (0.48) SLC6A4ALDH1A1CDK4CCND1CCND2
SCHEMBL12374011 0.83 LNPEP (0.41) ALDH1A1NPC1CYP1A2RAB9AMEN1
SCHEMBL12374028 0.81 TDP1 (0.31) ALDH1A1TDP1
SCHEMBL2280652 0.80 CYP3A4 (0.43) ALDH1A1CYP3A4MAPTLTA4HMAOB

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 SLC6A4 1757/4885ALDH1A1 2969/4885CDK4 4556/4885

“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.