SCHEMBL23744328

SCHEMBL23744328

C[C@H]1CNCCN1c1ncc(C(F)(F)F)cn1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 3/20 0.43
HTR2C P28335 5/20 0.41
HTR2B P41595 3/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
ROCK1 Q13464 3/20 0.39
HTR2A P28223 3/20 0.39
KCNH2 Q12809 1/20 0.39
CXCR3 P49682 1/20 0.38
LATS1 O95835 1/20 0.36
SPAST Q9UBP0 1/20 0.36
KHK P50053 1/20 0.36

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
SCHEMBL28966630 1.00 ROCK2 (0.43) ROCK2HTR2CHTR2BCYP1A2CYP3A4
SCHEMBL24962983 1.00 ROCK2 (0.43) ROCK2HTR2CHTR2BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL28966586 0.99 ROCK2 (0.42) ROCK2HTR2CHTR2BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL28966581 0.99 ROCK2 (0.42) ROCK2HTR2CHTR2BCYP1A2CYP3A4
SCHEMBL17413 0.86 ROCK2 (0.40) ROCK2HTR2CHTR2BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL17409 0.85 ROCK2 (0.39) ROCK2HTR2CHTR2BCYP1A2CYP3A4
SCHEMBL17104 0.85 ROCK2 (0.39) ROCK2HTR2CHTR2BCYP1A2CYP3A4
SCHEMBL12089177 0.84 ROCK2 (0.40) ROCK2HTR2CHTR2BCYP1A2CYP3A4
SCHEMBL31713305 0.84 ROCK2 (0.40) ROCK2HTR2CHTR2BCYP1A2CYP3A4
Hydrochloric Acid SCHEMBL16587 0.84 ROCK2 (0.39) ROCK2HTR2CHTR2BCYP1A2CYP3A4

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 8 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
EP-4644385-A1 TIPARP INHIBITOR COMPOUNDS AbbVie Inc. (US) 2025-11-05 EP disclosed
US-20250333394-A1 Tiparp Inhibitor Compounds ABBVIE INC. (US) 2025-10-30 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
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE NEUROCRINE BIOSCIENCES, INC. 2023-04-27 US disclosed
WO-2023001247-A1 PYRIDAZINONE COMPOUND 南京明德新药研发有限公司 2023-01-26 WO 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 (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-20250333394-A1 Tiparp Inhibitor Compounds TIPARP, TIPRL, TPP1 ROCK2 1310/4885HTR2C 4157/4885HTR2B 4727/4885
US-20230129359-A1 MUSCARINIC RECEPTOR 4 ANTAGONISTS AND METHODS OF USE CHRM4, CHRM2, CHRM5 ROCK2 2599/4885HTR2C 235/4885HTR2B 203/4885

“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.