SCHEMBL150791

SCHEMBL150791

COc1ccc(Cc2nccc3cc(OC)c(-c4ccccc4N(C)C)cc23)cc1OC

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 14/20 0.67
PDE3A Q14432 10/20 0.67
PDE3B Q13370 9/20 0.67
CYP3A4 P08684 4/20 0.67
MAPK1 P28482 4/20 0.67
SMN1; SMN2 Q16637 4/20 0.67
LMNA P02545 3/20 0.67
USP2 O75604 2/20 0.67
ALDH1A1 P00352 2/20 0.67
HIF1A Q16665 2/20 0.67
CYP1A2 P05177 2/20 0.67
CYP2C9 P11712 2/20 0.67
TSHR P16473 2/20 0.67
PDE4A P27815 2/20 0.67
KCNH2 Q12809 2/20 0.67
PDE4D Q08499 2/20 0.67
PDE2A O00408 1/20 0.67
ABCC4 O15439 1/20 0.67
PDE5A O76074 1/20 0.67
ABCB11 O95342 1/20 0.67

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
SCHEMBL147885 0.84 PDE10A (0.75) PDE10APDE3APDE3BCYP3A4MAPK1
Dimethylamine SCHEMBL150792 0.82 PDE10A (0.72) PDE10APDE3APDE3BCYP3A4MAPK1
Papaverine SCHEMBL29360983 0.82 PDE10A (1.00) PDE10APDE3APDE3BCYP3A4MAPK1
Papaverine SCHEMBL29387160 0.82 PDE10A (1.00) PDE10APDE3APDE3BCYP3A4MAPK1
Papaverine SCHEMBL9551009 0.82 PDE10A (1.00) PDE10APDE3APDE3BCYP3A4MAPK1
Papaverine SCHEMBL34702 0.82 PDE10A (1.00) PDE10APDE3APDE3BCYP3A4MAPK1
SCHEMBL193892 0.82 PDE10A (0.65) PDE10APDE3APDE3BCYP3A4MAPK1
Papaverine SCHEMBL677440 0.81 PDE10A (0.97) PDE10APDE3APDE3BCYP3A4MAPK1
Papaverine SCHEMBL29696479 0.81 PDE10A (1.00) PDE10APDE3APDE3BCYP3A4MAPK1
Papaverine SCHEMBL8691148 0.81 PDE10A (0.97) PDE10APDE3APDE3BCYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9227966-B2 Antimicrobial agents RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2016-01-05 US disclosed
US-20140315939-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2014-10-23 US disclosed
US-20120059026-A1 ANTIMICROBIAL AGENTS UNIVERSITY OF MEDICINE AND DENTISTRY OF NEW JERSEY (US) 2012-03-08 US disclosed
WO-2010127307-A1 ANTIMICROBIAL AGENTS RUTGERS, THE STATE UNIVERSITY OF NEW JERSEY (US) 2010-11-04 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 (2 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-20120059026-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PDE10A 3330/4885PDE3A 1963/4885PDE3B 1735/4885
US-20140315939-A1 ANTIMICROBIAL AGENTS ZYX, Q6ZSR9, ZC3HAV1L PDE10A 3600/4885PDE3A 2410/4885PDE3B 2124/4885

“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.