SCHEMBL1624933

SCHEMBL1624933

O=C(NCCN1CCCC1)C1CCN(c2ccc(F)c(-c3nc4cc(F)ccc4[nH]3)c2)CC1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.42
EPHX2 P34913 1/20 0.40
ALDH1A1 P00352 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR3A P46098 1/20 0.40
LMNA P02545 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
VCP P55072 4/20 0.39
PLD2 O14939 1/20 0.39
PLD1 Q13393 1/20 0.39
CHRM1 P11229 1/20 0.38
MAPT P10636 1/20 0.38
THRB P10828 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
SCHEMBL1623373 0.93 EPHX2 (0.42) CHRM2EPHX2ALDH1A1CHRM4HTR3A
SCHEMBL1625057 0.93 EPHX2 (0.47) CHRM2EPHX2ALDH1A1CHRM1MAPT
SCHEMBL1625052 0.91 HSD17B10 (0.43) HTR3AMEN1KMT2AMAPT
SCHEMBL1625240 0.91 HSD17B10 (0.43) HTR3AMEN1KMT2AMAPT
SCHEMBL1625651 0.84 HSD17B10 (0.41)
SCHEMBL1625656 0.84 HSD17B10 (0.41)
SCHEMBL1625450 0.83 ALDH1A1 (0.46) EPHX2ALDH1A1LMNAMAPT
SCHEMBL1625200 0.82 DGAT2 (0.47) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL1625275 0.82 ALDH1A1 (0.45) EPHX2ALDH1A1LMNAMAPT
SCHEMBL1625460 0.81 KDM4E (0.46) EPHX2CHRM4HTR3AMEN1KMT2A

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 5 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
EP-2440544-B1 HEDGEHOG PATHWAY ANTAGONISTS AND THERAPEUTIC APPLICATIONS THEREOF SIENA BIOTECH SPA (IT) 2013-08-14 EP 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 CHRM2 4465/4885EPHX2 1434/4885ALDH1A1 2448/4885

“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.