SCHEMBL5445321

SCHEMBL5445321

CC(=O)c1cn(CCCCl)c2c(C)cccc12

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR2F2 P24468 1/20 0.48
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45
KMT2A Q03164 2/20 0.44
CNR2 P34972 5/20 0.43
RAB9A P51151 3/20 0.43
CREBBP Q92793 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
MEN1 O00255 1/20 0.43
CYP1A2 P05177 1/20 0.43
STAT3 P40763 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.42
CNR1 P21554 3/20 0.41
POLB P06746 1/20 0.40
PKM P14618 1/20 0.40

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
SCHEMBL5463273 0.86 SMN1; SMN2 (0.47) NR2F2SMN1; SMN2ALDH1A1KMT2ACNR2
SCHEMBL5451167 0.85 SMN1; SMN2 (0.46) NR2F2SMN1; SMN2ALDH1A1KMT2ACNR2
SCHEMBL5338984 0.85 SMN1; SMN2 (0.46) NR2F2SMN1; SMN2ALDH1A1KMT2ACNR2
SCHEMBL5332444 0.83 SMN1; SMN2 (0.59) NR2F2SMN1; SMN2ALDH1A1KMT2ACNR2
SCHEMBL5373614 0.82 ALDH1A1 (0.51) NR2F2SMN1; SMN2ALDH1A1KMT2ACNR2
SCHEMBL31158214 0.80 SMN1; SMN2 (0.44) NR2F2SMN1; SMN2ALDH1A1CYP3A4CYP2D6
SCHEMBL5332746 0.79 SMN1; SMN2 (0.71) NR2F2SMN1; SMN2ALDH1A1KMT2ACNR2
SCHEMBL5446839 0.78 SMN1; SMN2 (0.58) NR2F2SMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL5446387 0.77 MEN1 (0.48) NR2F2SMN1; SMN2ALDH1A1KMT2AL3MBTL1
SCHEMBL5446909 0.77 ALDH1A1 (0.57) NR2F2SMN1; SMN2ALDH1A1L3MBTL1PKM

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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 US disclosed
US-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF ACADIA PHARMACEUTICALS INC. (US) 2007-09-13 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-20070213359-A1 BICYCLIC-NITROGEN COMPOUNDS AS MODULATORS OF GHRELIN RECEPTOR AND USES THEREOF GIPR, GHSR, GHRHR NR2F2 356/4885SMN1; SMN2 1701/4885ALDH1A1 2963/4885

“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.