SCHEMBL24968147

SCHEMBL24968147

COC[C@@H]1CN(c2ncc(C(F)(F)F)cn2)CCN1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SCN9A Q15858 4/20 0.44
SCN10A Q9Y5Y9 3/20 0.44
PRKCQ Q04759 1/20 0.41
CHRM4 P08173 4/20 0.36
GPR119 Q8TDV5 2/20 0.36
ADRB1 P08588 1/20 0.36
SLC6A9 P48067 1/20 0.36
TIPARP Q7Z3E1 3/20 0.36
CXCR3 P49682 1/20 0.35
ACACB O00763 1/20 0.34
PPARG P37231 1/20 0.34
PPARD Q03181 1/20 0.34
PPARA Q07869 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
SCHEMBL27233803 1.00 SCN9A (0.44) SCN9ASCN10APRKCQCHRM4GPR119
SCHEMBL28966676 0.86 HTT (0.43) SCN9APRKCQCHRM4SLC6A9TIPARP
SCHEMBL28966665 0.86 HTT (0.43) SCN9APRKCQCHRM4SLC6A9TIPARP
SCHEMBL28966662 0.86 HTT (0.43) SCN9APRKCQCHRM4SLC6A9TIPARP
SCHEMBL83060 0.84 PRKCQ (0.41) SCN9ASCN10APRKCQGPR119ADRB1
SCHEMBL24963024 0.84 SCN9A (0.42) SCN9ACHRM4ADRB1SLC6A9TIPARP
SCHEMBL19035707 0.81 PRKCQ (0.49) PRKCQADRB1
SCHEMBL27233830 0.80 CHRM4 (0.36) CHRM4SLC6A9TIPARPACACB
SCHEMBL27233825 0.80 CHRM4 (0.36) CHRM4SLC6A9TIPARPACACB
SCHEMBL12356311 0.80 HTR2C (0.42) SCN9ACHRM4SLC6A9ACACB

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-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF SHANGHAI QILU PHARMACEUTICAL RESEARCH AND DEVELOPMENT CENTRE LTD. (CN) 2024-10-24 US disclosed
EP-4378938-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF Shanghai Qilu Pharmaceutical Research and Development Centre Ltd. (CN) 2024-06-05 EP disclosed
CN-117642393-A Novel PARP7 inhibitor and application thereof 上海齐鲁制药研究中心有限公司 2024-03-01 CN disclosed
WO-2023006013-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF 上海齐鲁制药研究中心有限公司 2023-02-02 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-20240351997-A1 NOVEL PARP7 INHIBITOR AND USE THEREOF PARP6, PARP4, PARP3 SCN9A 3361/4885SCN10A 3115/4885PRKCQ 1263/4885

“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.