SCHEMBL3940288

SCHEMBL3940288

O=C(Cc1ccc(F)cc1)N(Cc1ccc(F)cc1)C1CCNCC1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 2/20 0.64
HTR2A P28223 3/20 0.52
SLC6A4 P31645 6/20 0.51
SLC6A2 P23975 5/20 0.51
SLC6A3 Q01959 5/20 0.51
KCNH2 Q12809 1/20 0.51
NSD2 O96028 1/20 0.50
CTSD P07339 1/20 0.48
OPRM1 P35372 2/20 0.46
TMEM97 Q5BJF2 2/20 0.46
GAA P10253 1/20 0.46
AGER Q15109 2/20 0.46
MTNR1A P48039 1/20 0.46

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
SCHEMBL341156 0.94 TACR1 (0.58) TACR1HTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL27712266 0.94 TACR1 (0.58) TACR1HTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL27613175 0.91 TACR1 (0.55) TACR1HTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL339704 0.91 TACR1 (0.55) TACR1HTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL4164384 0.88 MEN1 (0.56) TACR1HTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL3947609 0.87 HTR2A (0.56) TACR1HTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL341941 0.86 HTR2A (0.74) HTR2ASLC6A2SLC6A3KCNH2OPRM1
SCHEMBL13543040 0.85 POLB (0.56) TACR1HTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL20781111 0.84 TACR1 (0.59) TACR1HTR2ASLC6A4SLC6A2SLC6A3
SCHEMBL13543041 0.84 SMN1; SMN2 (0.57) TACR1HTR2ASLC6A4SLC6A2SLC6A3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101619057-A N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARM INC 2010-01-06 CN disclosed
CN-100509804-C N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARM INC (US) 2009-07-08 CN disclosed
US-7538222-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. (US) 2009-05-26 US disclosed
US-7476682-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. (US) 2009-01-13 US disclosed
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS INC. 2008-02-28 US disclosed
WO-2007124136-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS ACADIA PHARMACEUTICALS, INC. (US) 2007-11-01 WO disclosed
US-7253186-B2 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2007-08-07 US disclosed
US-20060205722-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2006-09-14 US disclosed
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS INC. 2006-09-07 US disclosed
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2006-05-04 US disclosed
CN-1675201-A N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARM INC (US) 2005-09-28 CN disclosed
EP-1562937-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS Acadia Pharmaceuticals Inc. (US) 2005-08-17 EP disclosed
US-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents ACADIA PHARMACEUTICALS, INC. 2004-06-03 US disclosed
WO-2004000808-A2 N-SUBSTITUTED PIPERIDINE DERIVATIVES AS SEROTONIN RECEPTOR AGENTS ACADIA PHARMACEUTICALS INC. (US) 2003-12-31 WO 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 (5 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-20040106600-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B TACR1 28/4885HTR2A 12/4885SLC6A4 21/4885
US-20060094758-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B TACR1 29/4885HTR2A 10/4885SLC6A4 23/4885
US-20080051429-A1 USE OF 4-AMINO-PIPERIDINES FOR TREATING SLEEP DISORDERS HTR4, HTR3B, HTR2A TACR1 137/4885HTR2A 3/4885SLC6A4 38/4885
US-20060205722-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B TACR1 29/4885HTR2A 10/4885SLC6A4 23/4885
US-20060199818-A1 N-substituted piperidine derivatives as serotonin receptor agents HTR1A, HTR5A, HTR1B TACR1 29/4885HTR2A 10/4885SLC6A4 23/4885

“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.