SCHEMBL478235

SCHEMBL478235

Cc1ccccc1CC1CCCCN1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.60
HTR6 P50406 5/20 0.50
LTA4H P09960 3/20 0.43
HRH3 Q9Y5N1 1/20 0.43
GHSR Q92847 1/20 0.43
HTR2A P28223 2/20 0.43
KMT2A Q03164 1/20 0.42

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
SCHEMBL23459399 0.98 POLB (0.58) POLBHTR6LTA4HHRH3GHSR
SCHEMBL1485223 0.95 HTR6 (0.55) POLBHTR6GHSRHTR2A
SCHEMBL20109493 0.95 HTR6 (0.55) POLBHTR6GHSRHTR2A
SCHEMBL31553321 0.81 POLB (0.49) POLBHTR6HRH3HTR2A
SCHEMBL20828122 0.80 POLB (0.60) POLBHTR6LTA4HHRH3HTR2A
SCHEMBL17979696 0.80 POLB (0.60) POLBHTR6LTA4HHRH3GHSR
SCHEMBL17979768 0.80 CHRNB4 (0.58) POLBHTR6LTA4H
SCHEMBL18019873 0.80 CHRNB4 (0.58) POLBHTR6LTA4H
SCHEMBL18019869 0.80 CHRNB4 (0.58) POLBHTR6LTA4H
SCHEMBL11479395 0.79 POLB (0.58) POLBHTR6LTA4HHRH3GHSR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101903347-B Piperidinyl and piperazinyl modulators of gamma-secretase JANSSEN PHARMACEUTICA NV 2013-03-27 CN disclosed
US-8252935-B2 Piperidinyl and piperazinyl modulators of γ-secretase JANSSEN PHARMACEUTICA N.V. (BE) 2012-08-28 US disclosed
EP-2212287-B1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA NV (BE) 2012-02-01 EP disclosed
CN-101903347-A Piperidinyl and piperazinyl modulators of gamma-secretase JANSSEN PHARMACEUTICA NV 2010-12-01 CN disclosed
EP-2212287-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE Janssen Pharmaceutica, N.V. (BE) 2010-08-04 EP disclosed
WO-2009052126-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF γ-SECRETASE JANSSEN PHARMACEUTICA, N.V. (BE) 2009-04-23 WO disclosed
US-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-04-23 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-20090105275-A1 PIPERIDINYL AND PIPERAZINYL MODULATORS OF y-SECRETASE BACE1, BACE2, PSEN1 POLB 2544/4885HTR6 1121/4885LTA4H 794/4885

“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.