SCHEMBL5294375

SCHEMBL5294375

O=C(NC1CNCC(c2ccccc2)C1)C(F)(F)F

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
RPS6KB1 P23443 1/20 0.43
KDM1A O60341 3/20 0.40
MAOA P21397 1/20 0.40
MAPK1 P28482 1/20 0.40
HDAC2 Q92769 2/20 0.37
JAK3 P52333 1/20 0.37
LIPG Q9Y5X9 2/20 0.36
TRPV1 Q8NER1 1/20 0.36
BACE1 P56817 1/20 0.36

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
SCHEMBL8272741 1.00 RPS6KB1 (0.43) RPS6KB1KDM1AMAOAMAPK1HDAC2
SCHEMBL17846454 0.81 RPS6KB1 (0.51) RPS6KB1KDM1AMAOAMAPK1HDAC2
SCHEMBL27687082 0.81 KDM1A (0.45) RPS6KB1KDM1AMAOAMAPK1HDAC2
SCHEMBL18247761 0.78 PKM (0.42)
SCHEMBL14428330 0.78 PKM (0.42)
SCHEMBL486028 0.78 F2R (0.56) MAOA
SCHEMBL5241303 0.77 KDM1A (0.55) RPS6KB1KDM1AMAPK1
Trifluoroacetic Acid SCHEMBL10006604 0.77 CHRNA7 (0.47) KDM1AJAK3BACE1
Acetic Acid SCHEMBL30325545 0.76 HPSE (0.41)
SCHEMBL3554554 0.75 HPSE (0.43)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773805-A1 QUINAZOLIN-4-YL-PIPERIDINE AND CINNOLIN-4-YL-PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS Pfizer Products Incorporated (US) 2007-04-18 EP disclosed
WO-2006011040-A1 QUINAZOLIN-4-YL- PIPERIDINE AND CINNOLIN-4-YL- PIPERIDINE DERIVATIVES AS PDE10 INHIBITORS FOR THE TREATMENT OF CNS DISORDERS PFIZER PRODUCTS INC. (US) 2006-02-02 WO disclosed
US-20060019975-A1 Novel piperidyl derivatives of quinazoline and isoquinoline PFIZER INC 2006-01-26 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-20060019975-A1 Novel piperidyl derivatives of quinazoline and isoquinoline PDE5A, PDE4A, PDE3A RPS6KB1 3732/4885KDM1A 1530/4885MAOA 149/4885

“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.