SCHEMBL5456713

SCHEMBL5456713

CCC(CC)C(=O)N(C1CCCCC1)C1CCNCC1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.39
SLC6A2 P23975 7/20 0.39
SLC6A3 Q01959 4/20 0.39
KCNH2 Q12809 2/20 0.39
ADH1C P00326 1/20 0.36
ADH1A P07327 1/20 0.36
EPHX1 P07099 1/20 0.35
TSHR P16473 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
ATM Q13315 1/20 0.33
S1PR1 P21453 1/20 0.33
S1PR3 Q99500 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33

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
SCHEMBL5199047 0.77 MAPT (0.38) ADH1CADH1AATM
SCHEMBL5449617 0.77 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3KCNH2ADH1C
SCHEMBL5459487 0.77 SLC6A4 (0.40) SLC6A4SLC6A2SLC6A3KCNH2ADH1C
SCHEMBL2278722 0.74 SLC6A2 (0.54) SLC6A4SLC6A2SLC6A3KCNH2
SCHEMBL13622839 0.73 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3KCNH2EPHX1
SCHEMBL2275673 0.72 TSHR (0.55) SLC6A4SLC6A2SLC6A3KCNH2EPHX1
SCHEMBL27624686 0.72 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3KCNH2EPHX1
SCHEMBL16795227 0.71 SLC6A4 (0.44) SLC6A4SLC6A2SLC6A3KCNH2EPHX1
SCHEMBL8003405 0.71 KMT2A (0.43) SLC6A4SLC6A2SLC6A3KCNH2TSHR
SCHEMBL2281424 0.71 SLC6A4 (0.42) SLC6A4SLC6A2SLC6A3KCNH2ADH1C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101039941-A Aminopiperidine derivatives, their preparation and use as melanocortin receptor agonists SANOFI AVENTIS (FR) 2007-09-19 CN disclosed
US-20070191364-A1 AMINOPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF SANOFI-AVENTIS (FR) 2007-08-16 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 (1 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-20070191364-A1 AMINOPIPERIDINE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTIC USE THEREOF MC4R, MC5R, TAAR5 SLC6A4 728/4885SLC6A2 276/4885SLC6A3 478/4885

“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.