SCHEMBL5906861

SCHEMBL5906861

COC(=O)C(Cc1ccccc1)Nc1cc(-c2ccc(O)cc2)ncn1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.48
MDM4 O15151 1/20 0.47
MDM2 Q00987 1/20 0.47
TACR3 P29371 1/20 0.47
CYP1A2 P05177 2/20 0.46
CYP2D6 P10635 2/20 0.46
HSD17B10 Q99714 2/20 0.46
CLK4 Q9HAZ1 2/20 0.46
ALDH1A1 P00352 1/20 0.46
ADORA3 P0DMS8 1/20 0.46
CDK2 P24941 1/20 0.46
TSHR P16473 2/20 0.45
TP53 P04637 3/20 0.44
MAPT P10636 2/20 0.44
LMNA P02545 1/20 0.44
THRB P10828 1/20 0.44
FAAH O00519 1/20 0.43
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL5906767 1.00 ELANE (0.48) ELANEMDM4MDM2TACR3CYP1A2
SCHEMBL5906701 0.91 TACR3 (0.47) TACR3CYP1A2CYP2D6HSD17B10CLK4
SCHEMBL5906841 0.91 TACR3 (0.47) TACR3CYP1A2CYP2D6HSD17B10CLK4
SCHEMBL5906697 0.91 TACR3 (0.47) TACR3CYP1A2CYP2D6HSD17B10CLK4
SCHEMBL5906837 0.91 TACR3 (0.47) TACR3CYP1A2CYP2D6HSD17B10CLK4
SCHEMBL5906692 0.91 PPARG (0.50) TACR3ALDH1A1ADORA3LMNAFAAH
SCHEMBL5906555 0.91 PPARG (0.50) TACR3ALDH1A1ADORA3LMNAFAAH
SCHEMBL5906667 0.90 TACR3 (0.46) TACR3CYP1A2CYP2D6HSD17B10CLK4
SCHEMBL5906665 0.90 TACR3 (0.46) TACR3CYP1A2CYP2D6HSD17B10CLK4
SCHEMBL5906746 0.90 PPARG (0.49) TACR3CYP1A2CYP2D6HSD17B10CLK4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BAYER HEALTHCARE AG (DE) 2006-04-27 US disclosed
EP-1575919-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST Bayer HealthCare AG (DE) 2005-09-21 EP disclosed
WO-2004043926-A1 PHENYL OR HETEROARYL AMINO ALKANE DERIVATIVES AS IP RECEPTOR ANTAGONIST BAYER HEALTHCARE AG (DE) 2004-05-27 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-20060089371-A1 Phenyl or heteroaryl amino alkane derivatives as ip receptor antagonist BPHL, HRH4, HRH2 ELANE 2935/4885MDM4 2198/4885MDM2 921/4885

“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.