SCHEMBL19954547

SCHEMBL19954547

CC(=O)NC1CCC(n2nc(C(F)(F)F)cc2C(C)C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TACR1 P25103 1/20 0.39
ATM Q13315 1/20 0.38
TSHR P16473 1/20 0.37
ALDH1A1 P00352 2/20 0.36
CHRNB2 P17787 1/20 0.35
CHRNB4 P30926 1/20 0.35
CHRNA3 P32297 1/20 0.35
CHRNA4 P43681 1/20 0.35
KDM5A P29375 1/20 0.34
PDE7A Q13946 1/20 0.34
CCRL2 O00421 1/20 0.34
NR3C2 P08235 1/20 0.34
SMYD3 Q9H7B4 1/20 0.34
IDO1 P14902 1/20 0.34
CARM1 Q86X55 1/20 0.34
CCNT1 O60563 1/20 0.33
CDK1 P06493 1/20 0.33
CDK4 P11802 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
SCHEMBL19954610 0.94 PDE7A (0.39) MEN1KMT2ATACR1ATMTSHR
SCHEMBL19954583 0.90 MEN1 (0.39) MEN1KMT2AALDH1A1CHRNB2CHRNB4
SCHEMBL18164069 0.86 CRHR1 (0.40) MEN1KMT2ATACR1ATMTSHR
SCHEMBL18161195 0.84 MEN1 (0.42) MEN1KMT2AATMALDH1A1KDM5A
SCHEMBL19954613 0.84 MEN1 (0.38) MEN1KMT2AKDM5ANR3C2IDO1
SCHEMBL19954582 0.82 GAA (0.38) MEN1KMT2ATACR1ALDH1A1NR3C2
SCHEMBL19954587 0.81 AR (0.41) MEN1KMT2ACCNT1CDK1CDK4
SCHEMBL19105611 0.81 TGFBR1 (0.35) MEN1KMT2ATSHRNR3C2GAA
SCHEMBL19954665 0.80 LMNA (0.35) MEN1KMT2ANR3C2
SCHEMBL19954607 0.79 GAA (0.36) MEN1KMT2ATSHRNR3C2GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2019-08-27 US disclosed
EP-3080087-B1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORP (US) 2019-05-22 EP disclosed
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF LYCERA CORPORATION 2018-08-09 US disclosed
US-9914706-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof LYCERA CORPORATION (US) 2018-03-13 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 (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-10392350-B2 N-substituted pyrazolyl guanidine F1F0-ATPase inhibitors and therapeutic uses thereof ATP5F1A, ATP5ME, ATP5F1D MEN1 3723/4885KMT2A 4057/4885TACR1 4511/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D MEN1 3723/4885KMT2A 4057/4885TACR1 4511/4885

“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.