SCHEMBL564940

SCHEMBL564940

Ic1ccc2c(c1)CN(C(c1ccccc1)(c1ccccc1)c1ccccc1)C2

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 1/20 0.34
AKR1C3 P42330 2/20 0.33
AKR1C1 Q04828 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PNMT P11086 4/20 0.33
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
TDP2 O95551 1/20 0.30
NPC1 O15118 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30
CYP2B6 P20813 1/20 0.30

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
SCHEMBL383295 0.79 HSD17B3 (0.40) DPP7AKR1C3ALDH1A1PNMTADRA2A
SCHEMBL10269553 0.79 ALDH1A1 (0.33) ALDH1A1NPC1MAPTRAB9ACYP2B6
SCHEMBL3870949 0.75 AKR1C3 (0.33) AKR1C3ALDH1A1
SCHEMBL3885146 0.73 CCR6 (0.40)
SCHEMBL16249200 0.72 KMT2A (0.45) NPC1MAPT
SCHEMBL13028023 0.72 KCNH2 (0.43) ALDH1A1NPC1MAPTRAB9A
SCHEMBL6668549 0.72 DRD1 (0.31)
SCHEMBL30797996 0.71 CHRM3 (0.33) ALDH1A1CYP2B6
SCHEMBL3877128 0.70 TRPM5 (0.35) ALDH1A1ADRA2AADRA2BADRA2CMAPT
SCHEMBL30915985 0.69 MAOA (0.48) ALDH1A1ADRA2ANPC1MAPTRAB9A

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-9181182-B2 S1P receptors modulators AKAAL PHARMA PTY LTD (AU) 2015-11-10 US disclosed
US-20120034270-A1 S1P Receptors Modulators AKAAL PHARMA PTY LTD (AU) 2012-02-09 US disclosed
EP-2344446-A1 S1P RECEPTORS MODULATORS Akaal Pharma Pty Ltd (AU) 2011-07-20 EP disclosed
WO-2010042998-A1 S1P RECEPTORS MODULATORS AKAAL PHARMA PTY LTD (AU) 2010-04-22 WO 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-20120034270-A1 S1P Receptors Modulators S1PR1, S1PR5, S1PR3 DPP7 3074/4885AKR1C3 493/4885AKR1C1 675/4885

“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.