SCHEMBL12482015

SCHEMBL12482015

O=C1CC2(CCNCC2)Oc2c(F)cccc21

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 7/20 0.52
HTR2C P28335 1/20 0.45
HDAC3 O15379 4/20 0.40
HDAC4 P56524 4/20 0.40
HDAC1 Q13547 4/20 0.40
HDAC7 Q8WUI4 4/20 0.40
HDAC2 Q92769 4/20 0.40
HDAC10 Q969S8 4/20 0.40
HDAC11 Q96DB2 4/20 0.40
HDAC8 Q9BY41 4/20 0.40
HDAC6 Q9UBN7 4/20 0.40
HDAC9 Q9UKV0 4/20 0.40
HDAC5 Q9UQL6 4/20 0.40
ATM Q13315 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
HTR6 P50406 1/20 0.35
KDM4E B2RXH2 1/20 0.34
CYP19A1 P11511 1/20 0.33

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
Hydrochloric Acid SCHEMBL3715122 0.99 TRPM8 (0.51) TRPM8HTR2CHDAC3HDAC4HDAC1
SCHEMBL1115277 0.84 TRPM8 (0.53) TRPM8ATMSIGMAR1KDM4ECYP19A1
SCHEMBL538019 0.83 TRPM8 (0.51) TRPM8HTR2CHDAC3HDAC4HDAC1
Hydrochloric Acid SCHEMBL3721783 0.82 TRPM8 (0.50) TRPM8HDAC3HDAC4HDAC1HDAC7
Hydrochloric Acid SCHEMBL1690752 0.82 TRPM8 (0.50) TRPM8HTR2CHDAC3HDAC4HDAC1
SCHEMBL13188809 0.81 TRPM8 (0.58) TRPM8SIGMAR1
SCHEMBL28499917 0.80 HTR2C (0.50) TRPM8HTR2CHTR6
SCHEMBL12481896 0.80 CHRNA7 (0.41) TRPM8HTR2CHDAC3HDAC4HDAC1
SCHEMBL28507645 0.77 HTR2C (0.47) TRPM8HTR2CHDAC3HDAC4HDAC1
SCHEMBL655154 0.76 ATM (0.59) HDAC3HDAC4HDAC1HDAC7HDAC2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels VERTEX PHARMACEUTICALS INCORPORATED (US) 2019-08-20 US disclosed
EP-2675812-B1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMA (US) 2017-08-30 EP disclosed
EP-2675812-A1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS Vertex Pharmaceuticals Incorporated (US) 2013-12-25 EP disclosed
US-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED 2012-09-27 US disclosed
WO-2012112743-A1 CHROMAN - SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS VERTEX PHARMACEUTICALS INCORPORATED (US) 2012-08-23 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 (2 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-20120245136-A1 CHROMAN-SPIROCYCLIC PIPERIDINE AMIDES AS MODULATORS OF ION CHANNELS KCNJ2, KCNJ1, KCNC1 TRPM8 23/4885HTR2C 467/4885HDAC3 170/4885
US-10385070-B2 Chroman-spirocyclic piperidine amides as modulators of ion channels KCNJ2, KCNJ1, KCNC1 TRPM8 23/4885HTR2C 467/4885HDAC3 170/4885

“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.