SCHEMBL2913941

SCHEMBL2913941

c1ccc2nc(CCc3ccc4ccccc4n3)ccc2c1

nearest known ligand 0.61

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 10/20 0.61
CYSLTR2 Q9NS75 1/20 0.57
CYSLTR1 Q9Y271 1/20 0.57
CYP1A2 P05177 2/20 0.52
CYP3A4 P08684 1/20 0.51
CYP2D6 P10635 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NCF1 P14598 1/20 0.50
NOS2 P35228 1/20 0.50
BACE1 P56817 1/20 0.50
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50

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
SCHEMBL6798820 0.91 CYSLTR2 (0.53) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL3950944 0.89 KCNH2 (0.61) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL2334595 0.89 CYSLTR2 (0.52) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL177540 0.87 PDE10A (0.50) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL5025560 0.87 PDE10A (0.50) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL6583964 0.87 PDE10A (0.50) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL296473 0.87 PDE10A (0.50) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL4846265 0.87 PDE10A (0.50) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4
SCHEMBL725176 0.87 PDE10A (0.54) PDE10ACYSLTR2CYSLTR1CYP1A2
SCHEMBL1262322 0.87 PDE10A (0.50) PDE10ACYSLTR2CYSLTR1CYP1A2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2221289-B1 METHOD OF PRODUCING ALCOHOL MITSUBISHI CHEM CORP (JP) 2016-10-26 EP disclosed
US-8318990-B2 Process of producing alcohol MITSUBISHI CHEMICAL CORPORATION (JP) 2012-11-27 US disclosed
US-20100298613-A1 PROCESS OF PRODUCING ALCOHOL MITSUBISHI CHEMICAL CORPORATION (JP) 2010-11-25 US disclosed
EP-2221289-A1 METHOD OF PRODUCING ALCOHOL Mitsubishi Chemical Corporation (JP) 2010-08-25 EP disclosed
US-5811422-A USEFUL FOR TREATING VIRAL INFECTIONS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1998-09-22 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-20100298613-A1 PROCESS OF PRODUCING ALCOHOL ADH1C, ADH1A, ADH5 PDE10A 3779/4885CYSLTR2 3223/4885CYSLTR1 3401/4885

“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.