SCHEMBL1465597

SCHEMBL1465597

Clc1ccc2nc(NC[C@@H]3CCNC3)cnc2c1.O=C(c1cnoc1-c1ccccc1)N1CC[C@@H](CNc2cnc3cc(Cl)ccc3n2)C1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.42
HCRTR2 O43614 5/20 0.42
MAOB P27338 2/20 0.36
HTR6 P50406 2/20 0.36
P2RY12 Q9H244 2/20 0.36
PIK3CA P42336 1/20 0.35
CHEK1 O14757 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
HSD11B1 P28845 2/20 0.33
CCNT1 O60563 2/20 0.33
JAK3 P52333 1/20 0.33
CHRM1 P11229 1/20 0.33
PTGES O14684 2/20 0.32
PTGS2 P35354 1/20 0.32

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
SCHEMBL1462273 0.93 HCRTR1 (0.47) HCRTR1HCRTR2HSD11B1PTGESPTGS2
SCHEMBL1462270 0.93 HCRTR1 (0.47) HCRTR1HCRTR2HSD11B1PTGESPTGS2
SCHEMBL1462275 0.93 HCRTR1 (0.47) HCRTR1HCRTR2HSD11B1PTGESPTGS2
SCHEMBL1558885 0.81 NPSR1 (0.44) HCRTR1HCRTR2
SCHEMBL1463374 0.80 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL1464086 0.80 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL1464089 0.80 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL1463401 0.77 PIK3CA (0.45) HCRTR1HCRTR2MAOBHTR6PIK3CA
SCHEMBL1463240 0.77 NPSR1 (0.55) HCRTR1HCRTR2
SCHEMBL1463238 0.77 NPSR1 (0.55) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110071154-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS KNUST HENNER 2011-03-24 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-20110071154-A1 PYRROLIDIN-3-YLMETHYL-AMINE AS OREXIN ANTAGONISTS HCRTR2, HCRTR1, NPY2R HCRTR1 2/4885HCRTR2 1/4885MAOB 594/4885

“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.