SCHEMBL2886010

SCHEMBL2886010

COc1cc(OC)cc(C(=O)NCC2(F)CCN(CC(=O)N3CCCC3C(F)(F)F)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.46
KCNH2 Q12809 15/20 0.45
CACNA1G O43497 2/20 0.45
TSHR P16473 1/20 0.41
MAPT P10636 1/20 0.40
SCN5A Q14524 1/20 0.40
CACNA1I Q9P0X4 1/20 0.40
GPR183 P32249 1/20 0.40

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
SCHEMBL2890369 0.94 KCNH2 (0.50) NPC1KCNH2CACNA1GSCN5ACACNA1I
SCHEMBL2888395 0.86 KCNH2 (0.56) KCNH2CACNA1GSCN5ACACNA1I
SCHEMBL4274547 0.84 KMT2A (0.47) NPC1KCNH2CACNA1GTSHRMAPT
SCHEMBL4274552 0.84 KMT2A (0.47) NPC1KCNH2CACNA1GTSHRMAPT
SCHEMBL2885759 0.83 KCNH2 (0.51) KCNH2CACNA1GSCN5ACACNA1I
SCHEMBL4270883 0.80 CACNA1I (0.49) NPC1KCNH2CACNA1GCACNA1I
SCHEMBL4270877 0.80 CACNA1I (0.49) NPC1KCNH2CACNA1GCACNA1I
SCHEMBL4279685 0.80 CACNA1I (0.49) NPC1KCNH2CACNA1GCACNA1I
SCHEMBL14708773 0.79 KDM4E (0.45) NPC1KCNH2CACNA1GSCN5ACACNA1I
SCHEMBL2889574 0.77 KCNH2 (0.46) NPC1KCNH2CACNA1GMAPTSCN5A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8501773-B2 4-fluoro-piperidine T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US claimed
EP-1901746-B1 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2013-02-20 EP claimed
US-20100216841-A1 4-Fluoro-Piperidine T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2010-08-26 US claimed
CN-101212974-A 4-fluoro-piperidine T-type calcium channel antagonists MERCK & CO INC (US) 2008-07-02 CN claimed
US-8501773-B2 4-fluoro-piperidine T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-8501773-B2 4-fluoro-piperidine T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
US-8501773-B2 4-fluoro-piperidine T-type calcium channel antagonists MERCK SHARP & DOHME CORP. (US) 2013-08-06 US disclosed
EP-1901746-B1 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK SHARP & DOHME (US) 2013-02-20 EP disclosed
US-20100216841-A1 4-Fluoro-Piperidine T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2010-08-26 US disclosed
US-20100216841-A1 4-Fluoro-Piperidine T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2010-08-26 US disclosed
US-20100216841-A1 4-Fluoro-Piperidine T-Type Calcium Channel Antagonists MERCK SHARP & DOHME LLC 2010-08-26 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-20100216841-A1 4-Fluoro-Piperidine T-Type Calcium Channel Antagonists CACNA1G, CACNA1I, CACNA1H NPC1 870/4885KCNH2 38/4885CACNA1G 1/4885

“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.