SCHEMBL12408685

SCHEMBL12408685

Cc1nc(/C=C/c2nc(C(=O)NC3CCCCC3)cc(N3CCCC3)n2)nc(N(C)C)c1C

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 3/20 0.54
HSD11B1 P28845 2/20 0.47
MCHR1 Q99705 1/20 0.39
NAPEPLD Q6IQ20 2/20 0.38
TSHR P16473 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
CYP2C19 P33261 2/20 0.36
DNM1L O00429 2/20 0.36
LMNA P02545 1/20 0.35
MEN1 O00255 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
CNR2 P34972 1/20 0.35

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
Hydrochloric Acid SCHEMBL14775731 0.99 PDE10A (0.53) PDE10AHSD11B1MCHR1NAPEPLDTSHR
SCHEMBL12408684 0.83 HSD11B1 (0.47) PDE10AHSD11B1MCHR1NAPEPLDTSHR
Hydrochloric Acid SCHEMBL2178719 0.83 HSD11B1 (0.46) PDE10AHSD11B1MCHR1NAPEPLDTSHR
Hydrochloric Acid SCHEMBL2178300 0.82 PDE10A (0.53) PDE10ANAPEPLDALDH1A1NPC1RAB9A
SCHEMBL2181157 0.80 PDE10A (0.47) PDE10AHSD11B1MCHR1NAPEPLDALDH1A1
SCHEMBL2181159 0.80 PDE10A (0.47) PDE10AHSD11B1MCHR1NAPEPLDALDH1A1
SCHEMBL2180456 0.71 PDE10A (0.71) PDE10AHSD11B1NAPEPLDDNM1L
SCHEMBL2180464 0.71 PDE10A (0.71) PDE10AHSD11B1NAPEPLDDNM1L
SCHEMBL2178866 0.70 PDE10A (0.65) PDE10A
SCHEMBL2178858 0.70 PDE10A (0.65) PDE10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2011-07-07 US disclosed
WO-2010030027-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-03-18 WO 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-20110166135-A1 AROMATIC NITROGEN-CONTAINING 6-MEMBERED RING COMPOUNDS AND THEIR USE PDE10A, PDE3A, PDE3B PDE10A 1/4885HSD11B1 813/4885MCHR1 3825/4885

“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.