SCHEMBL23530210

SCHEMBL23530210

OCc1ccc2c(n1)CNCC2

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.42
CCR1 P32246 1/20 0.38
PNMT P11086 5/20 0.37
CD44 P16070 1/20 0.37
MAOB P27338 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2B P41595 1/20 0.37
ADRA2A P08913 2/20 0.36
ADRA2B P18089 2/20 0.36
ADRA2C P18825 2/20 0.36
ASIC3 Q9UHC3 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
SCHEMBL29549874 0.86 CYP3A4 (0.44) HTR2CCCR1PNMTCD44MAOB
SCHEMBL23530014 0.86 CYP3A4 (0.44) HTR2CCCR1PNMTCD44MAOB
SCHEMBL23530081 0.84 CCR1 (0.42) HTR2CCCR1HTR2AHTR2B
SCHEMBL10313015 0.83 HTR2C (0.42) HTR2CPNMTCD44MAOBHTR2B
SCHEMBL19033504 0.79 HTR2C (0.41) HTR2CPNMTCD44MAOBHTR2A
SCHEMBL21041640 0.77 HTR2C (0.45) HTR2CPNMTCD44MAOBADRA2A
SCHEMBL13977960 0.74 CCR1 (0.43) HTR2CCCR1HTR2AHTR2BADRA2A
SCHEMBL16220547 0.74 HTR2C (0.46) HTR2CPNMTCD44MAOBADRA2A
SCHEMBL4206586 0.74 ADRA2A (0.47) HTR2CCCR1HTR2AHTR2BADRA2A
SCHEMBL10277556 0.74 KCNH2 (0.49) HTR2CPNMTCD44MAOBHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators Shanghai Simr Biotechnology Co., Ltd. (CN) 2026-05-26 US disclosed
EP-4079734-B1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF SHANGHAI SIMR BIOTECHNOLOGY CO LTD (CN) 2025-09-17 EP disclosed
CN-114302886-B Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2024-03-22 CN disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
US-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2023-05-04 US disclosed
EP-4079734-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF Shanghai Simr Biotechnology Co., Ltd. (CN) 2022-10-26 EP disclosed
CN-114302886-A Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2022-04-08 CN disclosed
WO-2021121294-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2021-06-24 WO disclosed
WO-2021121294-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF 上海赛默罗生物科技有限公司 2021-06-24 WO disclosed
CN-112979655-A Triazolopyridazine derivative, preparation method, pharmaceutical composition and application thereof 上海赛默罗生物科技有限公司 2021-06-18 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-20230136194-A1 TRIAZOLOPYRIDAZINE DERIVATIVE, PREPARATION METHOD THEREFOR, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF ABCG2, CYP4F8, CYP3A5 HTR2C 625/4885CCR1 4517/4885PNMT 2330/4885
US-12637468-B2 Substituted [1,2,4]triazolo[4,3-b]pyridazines as GABAA receptor modulators GABRA6, GABRA1, GABRB1 HTR2C 166/4885CCR1 647/4885PNMT 2812/4885

“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.