SCHEMBL29626231

SCHEMBL29626231

C1=CCN(c2cccnc2)C=C1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 3/20 0.41
CYP3A4 P08684 2/20 0.41
CHRNB2 P17787 8/20 0.40
CHRNA4 P43681 8/20 0.40
CHRNB4 P30926 5/20 0.40
CHRNA3 P32297 5/20 0.40
HTT P42858 2/20 0.39
MAPT P10636 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2E1 P05181 1/20 0.39

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
SCHEMBL27977591 1.00 CYP2A6 (0.41) CYP2A6CYP3A4CHRNB2CHRNA4CHRNB4
Benzene SCHEMBL28093687 0.98 MAPT (0.41) CYP2A6CYP3A4CHRNB2CHRNA4CHRNB4
SCHEMBL29137307 0.98 CYP2A6 (0.40) CYP2A6CYP3A4CHRNB2CHRNA4CHRNB4
Propane SCHEMBL27699446 0.94 ELANE (0.41) CYP2A6CYP3A4CHRNB2CHRNA4CHRNB4
Bromobenzene SCHEMBL28160069 0.89 HTT (0.39) CYP2A6CYP3A4CHRNB2CHRNA4CHRNB4
N-Propyl Bromide SCHEMBL27977576 0.88 ELANE (0.38) CYP2A6CYP3A4CHRNB2CHRNA4CHRNB4
SCHEMBL2049800 0.81 MAPT (0.33) CYP3A4HTTMAPTMAPK1
SCHEMBL4140323 0.79 MAPT (0.32) HTTMAPTMAPK1
Hydrochloric Acid SCHEMBL29103226 0.79 NPC1 (0.35) HTTMAPTMAPK1
SCHEMBL1652919 0.79 CHKA (0.40) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230002346-A1 NEW COMPOUNDS AND METHODS BenevolentAl Bio Limited (GB) 2023-01-05 US claimed
EP-4720040-A1 SULFONAMIDE COMPOUNDS BENEFICIAL IN NEUROPROTECTIVE TREATMENT Lario Therapeutics Limited (GB) 2026-04-08 EP disclosed
CN-119463170-A Preparation method and application of triazinyl ionic organic polymer 昆明理工大学 2025-02-18 CN disclosed
CN-119264042-A Cyclopentane derivative-containing inhibitor, preparation method and application thereof 上海翰森生物医药科技有限公司 2025-01-07 CN disclosed
WO-2024246522-A1 SULFONAMIDE COMPOUNDS BENEFICIAL IN NEUROPROTECTIVE TREATMENT LARIO THERAPEUTICS LIMITED (GB) 2024-12-05 WO disclosed
CN-117651698-A Pyridone MK2 inhibitors and uses thereof 新特拉有限公司 2024-03-05 CN disclosed
US-11603523-B2 PCSK9 inhibitors and methods of use thereof ASTRAZENECA AB (SE) 2023-03-14 US disclosed
CN-115702145-A Substituted pyridines for the treatment of inflammatory diseases 戈萨默生物服务公司 2023-02-14 CN disclosed
CN-114456175-A Pyrrolotriazine compounds as TAM inhibitors 因赛特公司 2022-05-10 CN disclosed
CN-114456176-A Pyrrolotriazine compounds as TAM inhibitors 因赛特公司 2022-05-10 CN 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-20230002346-A1 NEW COMPOUNDS AND METHODS ABL2, ABL1, ALK CYP2A6 1059/4885CYP3A4 699/4885CHRNB2 1980/4885
US-11603523-B2 PCSK9 inhibitors and methods of use thereof PCSK9, PCSK7, PCSK6 CYP2A6 1386/4885CYP3A4 1387/4885CHRNB2 3799/4885

“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.