SCHEMBL14934310

SCHEMBL14934310

Cc1cnn(-c2ccc(F)cc2)c1C(F)(F)F

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.57
SMN1; SMN2 Q16637 4/20 0.49
HTT P42858 2/20 0.49
P2RX7 Q99572 1/20 0.45
ALDH1A1 P00352 3/20 0.44
NR3C1 P04150 8/20 0.43
POLB P06746 2/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
PGR P06401 3/20 0.42
CYP17A1 P05093 2/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 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
SCHEMBL14947478 0.88 LMNA (0.55) LMNASMN1; SMN2HTTALDH1A1NR3C1
SCHEMBL3233521 0.85 MAPT (0.45) LMNASMN1; SMN2HTTP2RX7ALDH1A1
SCHEMBL266770 0.84 SMN1; SMN2 (0.59) LMNASMN1; SMN2HTTALDH1A1POLB
SCHEMBL26387761 0.81 POLB (0.58) LMNASMN1; SMN2HTTALDH1A1POLB
SCHEMBL25382402 0.79 LMNA (0.50) LMNASMN1; SMN2HTTP2RX7ALDH1A1
SCHEMBL17922506 0.79 P2RX7 (0.54) LMNASMN1; SMN2HTTP2RX7ALDH1A1
SCHEMBL13990273 0.79 MAPT (0.53) SMN1; SMN2HTTALDH1A1POLBMAPT
SCHEMBL12180754 0.78 NR3C1 (0.46) LMNASMN1; SMN2HTTP2RX7ALDH1A1
SCHEMBL28579821 0.76 LMNA (0.47) LMNASMN1; SMN2HTTP2RX7ALDH1A1
SCHEMBL26261937 0.76 KDM4E (0.48) LMNASMN1; SMN2HTTP2RX7ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2595989-B1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2016-07-13 EP disclosed
US-9365588-B2 Benzoxazines as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-06-14 US disclosed
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2014-10-16 US disclosed
US-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-06-19 US disclosed
WO-2013067248-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-05-10 WO disclosed
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-12-15 US disclosed
WO-2011140425-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2011-11-10 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 (3 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-20140171427-A1 Heterocyclic chromene-spirocyclic piperidine amides as modulators of ion channels KCNJ2, TRPV1, KCNJ1 LMNA 1848/4885SMN1; SMN2 1198/4885HTT 395/4885
US-20110306607-A1 HETEROCYCLIC CHROMENE-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, TRPV1, KCNJ1 LMNA 1848/4885SMN1; SMN2 1198/4885HTT 395/4885
US-20140309220-A1 BENZOXAZINES AS MODULATORS OF ION CHANNELS KCNJ1, KCNJ2, KCNJ11 LMNA 1571/4885SMN1; SMN2 975/4885HTT 733/4885

“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.