SCHEMBL2887556

SCHEMBL2887556

Cc1nn(Cc2cccc(C(=O)NCC3(F)CCN(CCC(C)(C)C)CC3)c2)c(C)c1Br

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.60
MAPK1 P28482 2/20 0.60
ALOX15 P16050 1/20 0.60
KCNH2 Q12809 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
ALDH1A1 P00352 3/20 0.53
HTT P42858 3/20 0.53
MAPT P10636 2/20 0.53
NPSR1 Q6W5P4 2/20 0.53
USP2 O75604 1/20 0.49
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CACNA1I Q9P0X4 2/20 0.40
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
ACKR3 P25106 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
CHRM3 P20309 1/20 0.36

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
SCHEMBL2887579 0.81 KCNH2 (0.67) KCNH2SMN1; SMN2ALDH1A1MAPTNPSR1
SCHEMBL2887076 0.80 KCNH2 (0.69) LMNAKCNH2CACNA1ICHRM3
SCHEMBL2882537 0.77 KCNH2 (0.80) KCNH2CACNA1IPOLB
SCHEMBL2884515 0.76 KCNH2 (0.66) KCNH2ALDH1A1CACNA1IPOLBCHRM3
SCHEMBL2887877 0.76 KCNH2 (0.66) LMNAKCNH2SMN1; SMN2ALDH1A1HTT
SCHEMBL2887287 0.75 KCNH2 (0.76) KCNH2MEN1KMT2ACACNA1I
SCHEMBL2887526 0.74 KCNH2 (0.63) KCNH2CACNA1IGAACHRM3
SCHEMBL2886618 0.74 KCNH2 (0.78) LMNAKCNH2MEN1KMT2ACACNA1I
SCHEMBL2882278 0.72 KCNH2 (0.60) KCNH2SMN1; SMN2HTTMAPTCACNA1I
SCHEMBL2886093 0.72 KCNH2 (0.78) KCNH2MEN1KMT2ACACNA1I

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 14 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
EP-1901746-A2 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS Merck & Co., Inc. (US) 2008-03-26 EP claimed
WO-2007002884-A2 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2007-01-04 WO 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
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
WO-2007002884-A2 4-FLUORO-PIPERIDINE T-TYPE CALCIUM CHANNEL ANTAGONISTS MERCK & CO., INC. (US) 2007-01-04 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 (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 LMNA 2406/4885MAPK1 3400/4885ALOX15 3119/4885

“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.