SCHEMBL3817499

SCHEMBL3817499

Nc1cc(C2CCN(C(=O)O)CC2)ccc1F

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.44
HDAC1 Q13547 3/20 0.43
HDAC2 Q92769 3/20 0.43
HDAC3 O15379 1/20 0.43
IDO1 P14902 2/20 0.42
NPC1 O15118 2/20 0.40
USP5 P45974 2/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CCR2 P41597 1/20 0.39
PARP10 Q53GL7 2/20 0.39
SCD5 Q86SK9 2/20 0.39
CCR1 P32246 1/20 0.38
RAB9A P51151 1/20 0.38
ATM Q13315 1/20 0.38
RORC P51449 1/20 0.38

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
SCHEMBL28096680 0.88 HDAC1 (0.46) QDPRHDAC1HDAC2HDAC3IDO1
SCHEMBL16262649 0.86 HDAC1 (0.49) QDPRHDAC1HDAC2HDAC3NPC1
SCHEMBL3418716 0.86 USP5 (0.50) QDPRIDO1NPC1USP5HDAC6
SCHEMBL23122328 0.84 QDPR (0.56) QDPRHDAC1HDAC2HDAC3
SCHEMBL4725995 0.82 IDO1 (0.56) QDPRIDO1USP5HDAC6CCR2
SCHEMBL25430208 0.81 QDPR (0.56) QDPRIDO1NPC1USP5HDAC6
SCHEMBL23122840 0.81 QDPR (0.56) QDPRHDAC1HDAC2HDAC3
SCHEMBL3988015 0.80 DPP4 (0.52)
SCHEMBL16318326 0.80 QDPR (0.43) QDPRHDAC1HDAC2HDAC3CCR1
SCHEMBL4782539 0.79 IDO1 (0.47) QDPRIDO1NPC1USP5HDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1708704-A4 4-ARYL PIPERIDINES LUNDBECK & CO AS H (DK) 2009-08-05 EP disclosed
EP-1799223-A4 ARYLTHIOBENZYLPIPERIDINE DERIVATES LUNDBECK & CO AS H (DK) 2008-01-23 EP disclosed
WO-2007114916-A2 ARYLBENZYLPIPERIDINE COMPOUNDS H. LUNDBECK A/S (DK) 2007-10-11 WO disclosed
EP-1799223-A2 ARYLTHIOBENZYLPIPERIDINE DERIVATES H.Lundbeck A/S (DK) 2007-06-27 EP disclosed
EP-1708704-A2 4-ARYL PIPERIDINES H.Lundbeck A/S (DK) 2006-10-11 EP disclosed
WO-2006041635-A2 ARYLTHIOBENZYLPIPERIDINE DERIVATIVES H. LUNDBECK A/S (DK) 2006-04-20 WO disclosed
WO-2005069834-A2 4-ARYL PIPERIDINES H. LUNDBECK A/S (DK) 2005-08-04 WO disclosed
US-20050154022-A1 4-aryl piperidines H. LUNDBECK A/S 2005-07-14 US disclosed
US-20050154020-A1 4-Aryl piperidines SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2005-07-14 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 (2 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-20050154022-A1 4-aryl piperidines MCHR1, MCHR2, MC1R QDPR 221/4885HDAC1 2020/4885HDAC2 1955/4885
US-20050154020-A1 4-Aryl piperidines MCHR1, MCHR2, MC1R QDPR 221/4885HDAC1 2020/4885HDAC2 1955/4885

“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.