SCHEMBL2887972

SCHEMBL2887972

CC(C)(C)CCN1CCC(F)(CNC(=O)C2(c3cccc(F)c3)CCCCC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 4/20 0.56
CACNA1I Q9P0X4 3/20 0.56
TRPV1 Q8NER1 1/20 0.42
ALDH1A1 P00352 5/20 0.41
CYP2C19 P33261 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
KMT2A Q03164 1/20 0.41
OPRL1 P41146 2/20 0.40
P2RX7 Q99572 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
OPRM1 P35372 1/20 0.37
HDAC4 P56524 1/20 0.37

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
SCHEMBL2888374 0.99 KCNH2 (0.55) KCNH2CACNA1ITRPV1ALDH1A1CYP2C19
SCHEMBL2881679 0.89 KCNH2 (0.58) KCNH2CACNA1IALDH1A1CYP2C19MEN1
SCHEMBL2885955 0.88 KCNH2 (0.71) KCNH2CACNA1IALDH1A1OPRL1LMNA
SCHEMBL2884512 0.88 KCNH2 (0.56) KCNH2CACNA1IMEN1KMT2AOPRL1
SCHEMBL2880982 0.87 KCNH2 (0.69) KCNH2CACNA1IALDH1A1OPRL1LMNA
SCHEMBL2889298 0.84 KCNH2 (0.60) KCNH2CACNA1IALDH1A1MEN1KMT2A
SCHEMBL2884528 0.83 KCNH2 (0.59) KCNH2CACNA1ICYP2C19OPRL1OPRM1
SCHEMBL2884670 0.83 KCNH2 (0.52) KCNH2CACNA1IALDH1A1OPRL1P2RX7
SCHEMBL2881476 0.83 KCNH2 (0.55) KCNH2CACNA1IALDH1A1P2RX7HDAC4
SCHEMBL2887146 0.83 KCNH2 (0.58) KCNH2CACNA1IALDH1A1MEN1KMT2A

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 12 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
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 KCNH2 38/4885CACNA1I 2/4885TRPV1 25/4885

“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.