SCHEMBL25045409

SCHEMBL25045409

O=C1CC(c2ccc(Cl)nc2)CCN1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 8/20 0.42
▸ CHRNA4 P43681 7/20 0.42
▸ CHRNA7 P36544 5/20 0.42
▸ CHRNA3 P32297 5/20 0.42
▸ CHRNB4 P30926 4/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ CHRNA1 P02708 1/20 0.42
▸ CHRNG P07510 1/20 0.42
▸ CHRNB1 P11230 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ CHRND Q07001 1/20 0.42
▸ CHRNA2 Q15822 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL30282840 1.00 CHRNB2 (0.42) CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4
SCHEMBL20037881 0.82 TLR8 (0.39) ALDH1A1KMT2ATDP1
SCHEMBL18291410 0.82 TLR8 (0.39) ALDH1A1
SCHEMBL20001268 0.79 HTR3A (0.53) ALDH1A1KMT2AHPGD
SCHEMBL20249146 0.78 TLR8 (0.40) ALDH1A1
SCHEMBL25330905 0.77 CHRNB2 (0.49) CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4
SCHEMBL8514392 0.76 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4
SCHEMBL2408324 0.76 CHRNB2 (0.43) CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4
SCHEMBL861968 0.76 ALDH2 (0.46) ALDH1A1MEN1KMT2AHPGD
SCHEMBL22229949 0.75 CHRNB2 (0.44) CHRNB2CHRNA4CHRNA7CHRNA3CHRNB4

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
US-20250136581-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI SIMRD BIOTECHNOLOGY CO., LTD. (CN) 2025-05-01 — — US disclosed
EP-4385988-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2024-06-19 — — EP disclosed
CN-115703765-A Substituted triazole derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2023-02-17 — — CN disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 — — WO disclosed
WO-2023016521-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2023-02-16 — — 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-20250136581-A1 SUBSTITUTED TRIAZOLE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GABRA5, SLC6A11, GABRA1 CHRNB2 683/4885CHRNA4 402/4885CHRNA7 216/4885

“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.

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