SCHEMBL1625949

SCHEMBL1625949

CN1CCCC1CCNC(=O)C1CCN(c2ccc(Cl)c(-c3nc4cc(F)ccc4[nH]3)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACKR3 P25106 1/20 0.41
CHRM3 P20309 7/20 0.40
CHRM4 P08173 1/20 0.39
PTGES O14684 1/20 0.39
TP53 P04637 1/20 0.39
NOTUM Q6P988 1/20 0.38
LCK P06239 1/20 0.38
CHRM2 P08172 3/20 0.38
LMNA P02545 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PDE3B Q13370 1/20 0.37
PDE3A Q14432 1/20 0.37

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
SCHEMBL1623746 0.93 HSD17B10 (0.41) ACKR3CHRM3NOTUMLCKL3MBTL1
SCHEMBL1623373 0.87 EPHX2 (0.42) CHRM4PTGESTP53CHRM2LMNA
SCHEMBL1624860 0.86 POLB (0.42) CHRM4PTGESTP53NOTUMLMNA
SCHEMBL1625064 0.83 TP53 (0.41) CHRM3TP53NOTUMLMNAMEN1
SCHEMBL1625656 0.81 HSD17B10 (0.41) NOTUM
SCHEMBL1625651 0.81 HSD17B10 (0.41) NOTUM
SCHEMBL1624933 0.80 CHRM2 (0.42) CHRM4CHRM2LMNAMEN1KMT2A
SCHEMBL1284034 0.80 PDE3B (0.46) PTGESTP53NOTUMPDE3BPDE3A
SCHEMBL1625450 0.79 ALDH1A1 (0.46) PTGESTP53LMNA
Hydrochloric Acid SCHEMBL1284592 0.79 PDE3B (0.46) PTGESTP53NOTUMPDE3BPDE3A

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 ACKR3 568/4885CHRM3 4166/4885CHRM4 4241/4885

“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.