SCHEMBL17518792

SCHEMBL17518792

CC(=O)N1CCC(c2ccc(N(C)C)cc2)C1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.52
PDE4B Q07343 2/20 0.50
QDPR P09417 2/20 0.49
FAAH O00519 2/20 0.46
NPC1 O15118 6/20 0.45
RAB9A P51151 5/20 0.45
TP53 P04637 3/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
TSHR P16473 1/20 0.45
PRKAB2 O43741 1/20 0.45
PRKAG1 P54619 1/20 0.45
PRKAA2 P54646 1/20 0.45
PRKAA1 Q13131 1/20 0.45
PRKAG3 Q9UGI9 1/20 0.45
PRKAG2 Q9UGJ0 1/20 0.45
PRKAB1 Q9Y478 1/20 0.45
LMNA P02545 1/20 0.44
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
MAPT P10636 4/20 0.43

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
SCHEMBL17516279 0.84 PDE4B (0.53) SLC18A3PDE4BFAAHNPC1RAB9A
SCHEMBL16144647 0.84 ALDH1A1 (0.50) SLC18A3PDE4BFAAHNPC1RAB9A
SCHEMBL21714255 0.81 SLC18A3 (0.55) SLC18A3QDPRFAAHNPC1RAB9A
SCHEMBL15300933 0.81 KDM1A (0.53) PDE4BQDPRNPC1RAB9ATP53
SCHEMBL1197270 0.81 RAB9A (0.63) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL19493962 0.81 RAB9A (0.63) NPC1RAB9ATP53SMN1; SMN2TSHR
SCHEMBL26772714 0.79 RAB9A (0.54) PDE4BQDPRNPC1RAB9ATP53
SCHEMBL20805979 0.79 ALDH1A1 (0.61) PDE4BQDPRNPC1RAB9ALMNA
SCHEMBL14276847 0.78 HSD11B1 (0.56) PDE4BQDPRNPC1RAB9ATP53
SCHEMBL17518892 0.76 SLC18A3 (0.51) SLC18A3QDPRTSHRALDH1A1ATM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9809545-B2 Factor XIa inhibitors MERCK SHARP & DOHME CORP. (US) 2017-11-07 US disclosed
EP-2978425-B1 FACTOR XIA INHIBITORS MERCK SHARP & DOHME (US) 2017-09-27 EP disclosed
US-20160046581-A1 Factor XIa Inhibitors MERCK SHARP & DOHME CORP. (US) 2016-02-18 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-20160046581-A1 Factor XIa Inhibitors F11, F12, TFPI SLC18A3 4869/4885PDE4B 2528/4885QDPR 4496/4885

“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.