SCHEMBL12985709

SCHEMBL12985709

ICCn1cnc(-c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 1/20 0.49
HPGDS O60760 1/20 0.49
CYP2E1 P05181 2/20 0.48
CYP3A4 P08684 2/20 0.48
CYP2A6 P11509 2/20 0.48
CYP2C9 P11712 2/20 0.48
CYP2B6 P20813 2/20 0.48
CYP2C19 P33261 2/20 0.48
CYP2D6 P10635 1/20 0.48
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NLRP3 Q96P20 1/20 0.42
LMNA P02545 1/20 0.39
PRNP P04156 1/20 0.39
MAPT P10636 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM5A P29375 1/20 0.39
KDM4C Q9H3R0 1/20 0.39
KDM5B Q9UGL1 1/20 0.39

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
SCHEMBL4865471 0.82 PDE10A (0.49) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL7990801 0.82 CYP2E1 (0.53) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL12985345 0.82 PDE10A (0.49) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
Hydrochloric Acid SCHEMBL28812335 0.81 PDE10A (0.48) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL28802435 0.81 HPGDS (0.55) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL8921117 0.81 HPGDS (0.51) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL2910946 0.79 CYP2E1 (0.67) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL4865849 0.79 CYP2E1 (0.49) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL5924494 0.79 PDE10A (0.47) PDE10AHPGDSCYP2E1CYP3A4CYP2A6
SCHEMBL651699 0.79 CYP2E1 (0.50) PDE10AHPGDSCYP2E1CYP3A4CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694481-B1 IMIDAZOLE, PYRAZOLE, AND TRIAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER (US) 2015-12-30 EP disclosed
US-8809333-B2 Imidazole, pyrazole, and triazole derivatives useful as antibacterial agents PFIZER INC. (US) 2014-08-19 US disclosed
EP-2694481-A1 IMIDAZOLE, PYRAZOLE, AND TRIAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS Pfizer Inc (US) 2014-02-12 EP disclosed
US-20140038975-A1 Imidazole, Pyrazole, and Triazole Derivatives Useful As Antibacterial Agents BROWN MATTHEW FRANK (US) 2014-02-06 US disclosed
CN-103492368-A imidazole, pyrazole and thiazole derivatives as antibacterial agents PFIZER 2014-01-01 CN disclosed
WO-2012137099-A1 IMIDAZOLE, PYRAZOLE, AND TRIAZOLE DERIVATIVES USEFUL AS ANTIBACTERIAL AGENTS PFIZER INC. (US) 2012-10-11 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-20140038975-A1 Imidazole, Pyrazole, and Triazole Derivatives Useful As Antibacterial Agents AADAC, TPX2, NLRP3 PDE10A 3546/4885HPGDS 154/4885CYP2E1 2047/4885

“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.