SCHEMBL597602

SCHEMBL597602

Fc1ccc(C(OCCCCN2CCN(c3cccc(Cl)c3)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 7/20 0.85
SLC6A3 Q01959 7/20 0.85
SLC6A4 P31645 6/20 0.85
KCNH2 Q12809 2/20 0.63
SIGMAR1 Q99720 1/20 0.53
HTR7 P34969 2/20 0.52
HTR1A P08908 1/20 0.52

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
SCHEMBL596566 0.86 SLC6A3 (0.84) SLC6A2SLC6A3SLC6A4SIGMAR1HTR1A
SCHEMBL597494 0.86 SLC6A3 (0.83) SLC6A2SLC6A3SLC6A4KCNH2SIGMAR1
SCHEMBL597795 0.85 SLC6A2 (0.62) SLC6A2SLC6A3SLC6A4SIGMAR1HTR7
SCHEMBL596663 0.84 SLC6A2 (0.72) SLC6A2SLC6A3SLC6A4KCNH2SIGMAR1
SCHEMBL598147 0.81 SLC6A3 (0.84) SLC6A2SLC6A3SLC6A4KCNH2SIGMAR1
SCHEMBL10043049 0.79 SLC6A2 (0.65) SLC6A2SLC6A3SLC6A4KCNH2SIGMAR1
SCHEMBL4525555 0.79 KCNH2 (1.00) KCNH2SIGMAR1HTR7HTR1A
SCHEMBL30764772 0.79 KCNH2 (0.68) SLC6A2SLC6A3SLC6A4KCNH2SIGMAR1
SCHEMBL29278825 0.79 KCNH2 (0.68) SLC6A2SLC6A3SLC6A4KCNH2SIGMAR1
SCHEMBL6686966 0.79 SLC6A2 (0.61) SLC6A2SLC6A3SLC6A4KCNH2SIGMAR1

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 SLC6A2 135/4885SLC6A3 20/4885SLC6A4 192/4885
US-20090191125-A1 Diagnostic and Therapeutic Alkyl Piperidine/Piperazine Compounds and Process NR2E3, DRD2, HCRTR1 SLC6A2 198/4885SLC6A3 23/4885SLC6A4 247/4885
US-20120208847-A1 Diagnostic and Therapeutic Alkyl Piperidine/Piperazine Compounds and Process SNCA, NLN, DRD2 SLC6A2 53/4885SLC6A3 16/4885SLC6A4 139/4885

“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.