SCHEMBL597494

SCHEMBL597494

Fc1ccc(C(OCCCCN2CCN(c3ccccc3)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.83

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 12/20 0.83
SLC6A4 P31645 12/20 0.83
SLC6A2 P23975 11/20 0.83
SIGMAR1 Q99720 2/20 0.64
HTR1A P08908 1/20 0.64
DRD2 P14416 1/20 0.64
HTR2A P28223 1/20 0.64
HRH1 P35367 1/20 0.64
DRD3 P35462 1/20 0.64
TMEM97 Q5BJF2 1/20 0.64
MEN1 O00255 2/20 0.64
ALDH1A1 P00352 2/20 0.64
LMNA P02545 2/20 0.64
MAPK1 P28482 2/20 0.64
KMT2A Q03164 2/20 0.64
SMN1; SMN2 Q16637 2/20 0.64
TDP1 Q9NUW8 2/20 0.64
KCNH2 Q12809 2/20 0.64
NPC1 O15118 1/20 0.64
TP53 P04637 1/20 0.64

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
SCHEMBL596663 0.93 SLC6A2 (0.72) SLC6A3SLC6A4SLC6A2SIGMAR1HTR1A
SCHEMBL596566 0.88 SLC6A3 (0.84) SLC6A3SLC6A4SLC6A2SIGMAR1HTR1A
SCHEMBL10043049 0.88 SLC6A2 (0.65) SLC6A3SLC6A4SLC6A2SIGMAR1MEN1
SCHEMBL597602 0.86 SLC6A2 (0.85) SLC6A3SLC6A4SLC6A2SIGMAR1HTR1A
SCHEMBL597169 0.85 SLC6A3 (0.67) SLC6A3SLC6A4SLC6A2SIGMAR1MEN1
SCHEMBL6686966 0.84 SLC6A2 (0.61) SLC6A3SLC6A4SLC6A2SIGMAR1HTR1A
SCHEMBL597795 0.84 SLC6A2 (0.62) SLC6A3SLC6A4SLC6A2SIGMAR1DRD2
SCHEMBL598147 0.84 SLC6A3 (0.84) SLC6A3SLC6A4SLC6A2SIGMAR1MEN1
SCHEMBL10552245 0.84 SLC6A4 (0.78) SLC6A3SLC6A4SLC6A2SIGMAR1MEN1
SCHEMBL10550540 0.84 SLC6A4 (0.78) SLC6A3SLC6A4SLC6A2SIGMAR1MEN1

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
US-8772319-B2 Diagnostic and therapeutic alkyl piperidine/piperazine compounds and process THE GENERAL HOSPITAL CORPORATION (US) 2014-07-08 US disclosed
US-20120208847-A1 Diagnostic and Therapeutic Alkyl Piperidine/Piperazine Compounds and Process THE GENERAL HOSPITAL CORPORATION (US) 2012-08-16 US disclosed
US-8114379-B2 Diagnostic and therapeutic alkyl piperidine/piperazine compounds and process THE GENERAL HOSPITAL CORPORATION (US) 2012-02-14 US disclosed
US-20090191125-A1 Diagnostic and Therapeutic Alkyl Piperidine/Piperazine Compounds and Process THE GENERAL HOSPITAL CORPORATION (US) 2009-07-30 US disclosed
US-7381822-B2 Diagnostic and therapeutic alkyl piperidine/piperazine compounds and process THE GENERAL HOSPITAL CORPORATION (US) 2008-06-03 US disclosed
US-20050222166-A1 Diagnostic and therapeutic alkyl piperidine/piperazine compounds and process THE GENERAL HOSPITAL CORPORATION 2005-10-06 US disclosed
WO-2004063150-A2 DIAGNOSTIC AND THERAPEUTIC ALKYL PIPERIDINE/PIPERAZINE COMPOUNDS AND PROCESS THE GENERAL HOSPITAL CORPORATION (US) 2004-07-29 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 (3 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-20050222166-A1 Diagnostic and therapeutic alkyl piperidine/piperazine compounds and process HCRTR1, NR2E3, CHRNA3 SLC6A3 20/4885SLC6A4 192/4885SLC6A2 135/4885
US-20090191125-A1 Diagnostic and Therapeutic Alkyl Piperidine/Piperazine Compounds and Process NR2E3, DRD2, HCRTR1 SLC6A3 23/4885SLC6A4 247/4885SLC6A2 198/4885
US-20120208847-A1 Diagnostic and Therapeutic Alkyl Piperidine/Piperazine Compounds and Process SNCA, NLN, DRD2 SLC6A3 16/4885SLC6A4 139/4885SLC6A2 53/4885

“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.