SCHEMBL6072153

SCHEMBL6072153

c1ccc(C2CNC(c3ccccc3)C2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HDAC2 Q92769 2/20 0.46
SLC18A3 Q16572 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
PRCP P42785 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
GBA1 P04062 1/20 0.38
DPP4 P27487 2/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
AKR1C3 P42330 1/20 0.37
AKR1C1 Q04828 1/20 0.37
MAOA P21397 2/20 0.37
MAOB P27338 2/20 0.37
KDM1A O60341 1/20 0.37
CYP2B6 P20813 1/20 0.37
CYP2C19 P33261 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
SCHEMBL8535631 0.81
SCHEMBL369386 0.81
SCHEMBL1688451 0.81
SCHEMBL12371296 0.80 PRCP (0.44) PRCPMEN1KMT2AGBA1MAOA
SCHEMBL7649143 0.80 HDAC2 (0.39) HDAC2SLC18A3SIGMAR1PRCPMEN1
SCHEMBL4237630 0.79 SLC18A3 (0.55) SLC18A3SIGMAR1PRCPMEN1KMT2A
SCHEMBL15580371 0.79 SLC18A3 (0.55) SLC18A3SIGMAR1PRCPMEN1KMT2A
SCHEMBL18617825 0.79 F2 (0.40) HDAC2SIGMAR1MEN1KMT2AKDM1A
SCHEMBL15670538 0.79 PRCP (0.50) SLC18A3SIGMAR1PRCPMEN1KMT2A
SCHEMBL1893741 0.79 PRCP (0.50) SLC18A3SIGMAR1PRCPMEN1KMT2A

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-20060160794-A1 Tachykinin receptor antagonists ELI LILLY AND COMPANY 2006-07-20 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-20060160794-A1 Tachykinin receptor antagonists TACR1, TACR2, PROKR1 HDAC2 1711/4885SLC18A3 535/4885SIGMAR1 576/4885

“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.