SCHEMBL23744784

SCHEMBL23744784

C[C@@H]1CN(c2ncc(C(F)(F)F)cn2)[C@H](C)CN1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 1/20 0.39
ROCK1 Q13464 1/20 0.39
PIM1 P11309 5/20 0.37
HTR2C P28335 2/20 0.37
HTR2B P41595 2/20 0.37
BRAF P15056 1/20 0.36
CXCR3 P49682 1/20 0.36
HDAC1 Q13547 1/20 0.35
IRAK4 Q9NWZ3 3/20 0.35
ACACB O00763 1/20 0.33
KHK P50053 1/20 0.33
PIM2 Q9P1W9 4/20 0.32
MCHR1 Q99705 1/20 0.32

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
SCHEMBL23727914 1.00 ROCK2 (0.39) ROCK2ROCK1PIM1HTR2CHTR2B
SCHEMBL23744664 1.00 ROCK2 (0.39) ROCK2ROCK1PIM1HTR2CHTR2B
SCHEMBL23744775 1.00 ROCK2 (0.39) ROCK2ROCK1PIM1HTR2CHTR2B
SCHEMBL23728073 1.00 ROCK2 (0.39) ROCK2ROCK1PIM1HTR2CHTR2B
SCHEMBL2178404 0.82 HDAC1 (0.47) CXCR3HDAC1IRAK4
SCHEMBL1470706 0.82 HDAC1 (0.47) CXCR3HDAC1IRAK4
SCHEMBL1470530 0.82 HDAC1 (0.47) CXCR3HDAC1IRAK4
Hydrochloric Acid SCHEMBL1735168 0.81 HDAC1 (0.47) CXCR3HDAC1IRAK4
SCHEMBL24467701 0.79 ROCK2 (0.41) ROCK2ROCK1PIM1HTR2CHTR2B
SCHEMBL23744328 0.77 ROCK2 (0.43) ROCK2ROCK1HTR2CHTR2BCXCR3

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
EP-4100410-B1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES INC (US) 2026-04-22 EP disclosed
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
WO-2021158698-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. (US) 2021-08-12 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 (1 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-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE CHRM4, CHRM2, CHRM5 ROCK2 2599/4885ROCK1 2021/4885PIM1 4038/4885

“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.