SCHEMBL19954574

SCHEMBL19954574

CC(C)c1cc(C(F)(F)F)nn1C1COC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAP3K12 Q12852 14/20 0.43
CYP1A2 P05177 1/20 0.32
LRRK2 Q5S007 1/20 0.32
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
TSHR P16473 1/20 0.31
CRHBP P24387 1/20 0.31
CYP2C19 P33261 1/20 0.31
CRHR2 Q13324 1/20 0.31
TGFBR1 P36897 2/20 0.31
KCNN4 O15554 1/20 0.31
DLK1 P80370 1/20 0.30

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
SCHEMBL19105611 0.87 TGFBR1 (0.35) MAP3K12LRRK2CYP3A4CYP2D6TSHR
SCHEMBL19954606 0.87 TGFBR1 (0.41) MAP3K12LRRK2TGFBR1
SCHEMBL19954553 0.84 NR3C2 (0.40) MAP3K12CYP3A4CYP2D6TSHRCRHBP
SCHEMBL19954663 0.84 NR3C2 (0.38) MAP3K12CYP3A4CYP2D6TSHRCRHBP
SCHEMBL19954552 0.83 MAP3K12 (0.33) MAP3K12CYP3A4CYP2D6TSHRCRHBP
SCHEMBL21024127 0.83 NR3C2 (0.40) MAP3K12TSHRCYP2C19TGFBR1
SCHEMBL18164093 0.81 LRRK2 (0.38) MAP3K12CYP1A2LRRK2TSHR
SCHEMBL21023784 0.81 NR3C2 (0.36) MAP3K12TGFBR1
SCHEMBL19954537 0.81 PLAT (0.42) MAP3K12TGFBR1DLK1
SCHEMBL19954523 0.81 TGFBR1 (0.35) MAP3K12TGFBR1

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 MAP3K12 1341/4885CYP1A2 1801/4885LRRK2 3737/4885
US-20180222867-A1 N-SUBSTITUTED PYRAZOLYL GUANIDINE F1F0-ATPASE INHIBITORS AND THERAPEUTIC USES THEREOF ATP5F1A, ATP5ME, ATP5F1D MAP3K12 1341/4885CYP1A2 1801/4885LRRK2 3737/4885

“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.