SCHEMBL1625569

SCHEMBL1625569

CN(C)CCNC(=O)C1CCN(c2ccc(F)c(-c3nc4cc(Cl)ccc4[nH]3)c2)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.46
POLB P06746 1/20 0.45
PTGES O14684 1/20 0.44
HRH4 Q9H3N8 2/20 0.42
HRH3 Q9Y5N1 2/20 0.42
CHRM2 P08172 2/20 0.41
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
F10 P00742 1/20 0.40
CHRM4 P08173 2/20 0.40
FLT3 P36888 1/20 0.39
THRB P10828 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL1624860 0.89 POLB (0.42) TP53POLBPTGESLMNACHRM4
SCHEMBL1625057 0.87 EPHX2 (0.47) TP53PTGESHRH4CHRM2MAPT
SCHEMBL1625051 0.85 F10 (0.46) TP53POLBHRH4MAPTLMNA
SCHEMBL1624586 0.84 MAPT (0.46) TP53POLBMAPTLMNAKDM4E
SCHEMBL1623591 0.83 HSD17B10 (0.44) TP53POLBKDM4EHSD17B10
SCHEMBL1625061 0.83 HSD17B10 (0.44) TP53POLBKDM4EHSD17B10
SCHEMBL1623232 0.82 PDE3B (0.48) LMNA
Hydrochloric Acid SCHEMBL1283814 0.81 PDE3B (0.47) LMNA
SCHEMBL1625423 0.80 NOTUM (0.46) TP53POLBPTGESMAPTCHRM4
SCHEMBL1284040 0.80 PTGES (0.43) TP53PTGESMAPTLMNA

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-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-8835648-B2 Hedgehog pathway antagonists and therapeutic applications thereof SIENA BIOTECH S.P.A. (IT) 2014-09-16 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 US disclosed
US-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH S.P.A. (IT) 2012-04-12 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-20120088752-A1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SHH, GLI1, SMO TP53 537/4885POLB 3273/4885PTGES 2679/4885

“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.