SCHEMBL597326

SCHEMBL597326

Fc1ccc(C(OCCCCN2CCN(C(Cc3ccccc3)C3=COCO3)CC2)c2ccc(F)cc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 16/20 0.54
SLC6A3 Q01959 16/20 0.54
SLC6A2 P23975 3/20 0.53
MEN1 O00255 2/20 0.53
ALDH1A1 P00352 2/20 0.53
LMNA P02545 2/20 0.53
MAPK1 P28482 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.53
TDP1 Q9NUW8 2/20 0.53
CYP2D6 P10635 2/20 0.53
NPC1 O15118 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
TSHR P16473 1/20 0.53
NFKB1 P19838 1/20 0.53
CYP2C19 P33261 1/20 0.53

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
SCHEMBL5074791 0.87 MC4R (0.46) SLC6A4SLC6A3SLC6A2MEN1ALDH1A1
SCHEMBL15961230 0.80 SIGMAR1 (0.52) SLC6A4SLC6A3SLC6A2ALDH1A1MAPK1
SCHEMBL2316904 0.75 SIGMAR1 (0.47) MEN1ALDH1A1LMNAMAPK1KMT2A
SCHEMBL592760 0.72 ADRA1D (0.43) MAPK1
SCHEMBL597494 0.72 SLC6A3 (0.83) SLC6A4SLC6A3SLC6A2MEN1ALDH1A1
SCHEMBL10356635 0.72 SLC6A4 (0.64) SLC6A4SLC6A3SLC6A2MEN1ALDH1A1
SCHEMBL10356309 0.72 SLC6A4 (0.64) SLC6A4SLC6A3SLC6A2MEN1ALDH1A1
SCHEMBL10559088 0.72 SLC6A4 (0.64) SLC6A4SLC6A3SLC6A2MEN1ALDH1A1
SCHEMBL10356356 0.72 SLC6A4 (0.64) SLC6A4SLC6A3SLC6A2MEN1ALDH1A1
SCHEMBL10552245 0.71 SLC6A4 (0.78) SLC6A4SLC6A3SLC6A2MEN1ALDH1A1

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
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

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