SCHEMBL21867147

SCHEMBL21867147

CC1(C(=O)O)CCN(c2ncc(F)cn2)C[C@H]1F

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 4/20 0.41
HCRTR2 O43614 2/20 0.39
SLC6A9 P48067 5/20 0.37
HCRTR1 O43613 1/20 0.37
HTR1A P08908 3/20 0.36
GPBAR1 Q8TDU6 1/20 0.35
CHRM4 P08173 1/20 0.35
PTPN11 Q06124 1/20 0.35
DRD4 P21917 1/20 0.34
HTR2A P28223 1/20 0.34
PARP1 P09874 1/20 0.34

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
SCHEMBL20564811 1.00 RIPK1 (0.41) RIPK1HCRTR2SLC6A9HCRTR1HTR1A
SCHEMBL20564810 0.88 RIPK1 (0.41) RIPK1HCRTR2SLC6A9HCRTR1HTR1A
SCHEMBL21867148 0.88 RIPK1 (0.41) RIPK1HCRTR2SLC6A9HCRTR1HTR1A
SCHEMBL20565656 0.83 OPRM1 (0.40) RIPK1HCRTR2HCRTR1HTR1AGPBAR1
SCHEMBL21867146 0.83 OPRM1 (0.40) RIPK1HCRTR2HCRTR1HTR1AGPBAR1
SCHEMBL20564809 0.83 RIPK1 (0.51) RIPK1HCRTR2SLC6A9HCRTR1HTR1A
SCHEMBL28419743 0.77 RIPK1 (0.40) RIPK1HCRTR2SLC6A9HCRTR1HTR1A
SCHEMBL21867154 0.75 SLC6A9 (0.38) RIPK1HCRTR2SLC6A9HCRTR1HTR1A
SCHEMBL20564613 0.75 SLC6A9 (0.38) RIPK1HCRTR2SLC6A9HCRTR1HTR1A
SCHEMBL20564609 0.75 SLC6A9 (0.38) RIPK1HCRTR2SLC6A9HCRTR1HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11203600-B2 Kinase inhibitors and uses thereof DENALI THERAPEUTICS INC. (US) 2021-12-21 US disclosed
US-20200087319-A1 Kinase Inhibitors and Uses Thereof DENALI THERAPEUTICS INC. (US) 2020-03-19 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-20200087319-A1 Kinase Inhibitors and Uses Thereof MAP3K20, MAP3K6, MAP3K19 RIPK1 353/4885HCRTR2 4856/4885SLC6A9 4727/4885
US-11203600-B2 Kinase inhibitors and uses thereof MAP3K20, MAP3K6, MAP3K19 RIPK1 353/4885HCRTR2 4856/4885SLC6A9 4727/4885

“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.