SCHEMBL5160130

SCHEMBL5160130

NC(=O)N1CC[CH]C(c2ccccc2)C1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.37
POLB P06746 2/20 0.37
ALDH1A1 P00352 3/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
NPC1 O15118 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TP53 P04637 1/20 0.36
PDE4B Q07343 3/20 0.35
SCD O00767 1/20 0.35
EPHX2 P34913 1/20 0.35
SLC6A2 P23975 2/20 0.35
SLC6A4 P31645 2/20 0.35
SLC6A3 Q01959 2/20 0.35
ATM Q13315 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KDM1A O60341 1/20 0.34

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
SCHEMBL3195746 0.91 SMN1; SMN2 (0.42) RAB9APOLBNPSR1NPC1SMN1; SMN2
SCHEMBL1966806 0.84 POLB (0.47) POLBALDH1A1HTTSLC6A2SLC6A4
SCHEMBL14813498 0.83 SIGMAR1 (0.36) RAB9APOLBALDH1A1NPC1SMN1; SMN2
SCHEMBL3665330 0.80 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2MAPTHPGD
SCHEMBL3633479 0.78 PAX8 (0.44) ALDH1A1KDM1A
SCHEMBL3623060 0.74 GHSR (0.43) TP53PDE4B
SCHEMBL29554790 0.73 RAB9A (0.63) RAB9APOLBALDH1A1HTTNPC1
SCHEMBL23009741 0.72 ALDH1A1 (0.59) RAB9APOLBALDH1A1NPC1SMN1; SMN2
SCHEMBL27446535 0.72 ALDH1A1 (0.59) RAB9APOLBALDH1A1NPC1SMN1; SMN2
SCHEMBL30782004 0.72 RAB9A (0.49) RAB9APOLBALDH1A1NPC1SMN1; SMN2

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-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP claimed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO claimed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 US claimed
EP-1748984-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS Pfizer Products Inc. (US) 2007-02-07 EP disclosed
WO-2005110987-A1 PIPERIDINE DERIVATIVES AS NK1 AND NK3 ANTAGONISTS PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256164-A1 NK1 and NK3 antagonists PFIZER INC 2005-11-17 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-20050256164-A1 NK1 and NK3 antagonists TAC3, TACR1, TACR2 RAB9A 3825/4885POLB 4483/4885ALDH1A1 3567/4885

“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.