SCHEMBL25215735

SCHEMBL25215735

NCCCCCN1CCN(C(=O)c2sccc2F)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ HRH2 P25021 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ SIGMAR1 Q99720 5/20 0.41
▸ KDM4E B2RXH2 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40
▸ KCNA5 P22460 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ DRD2 P14416 2/20 0.38
▸ HTR1A P08908 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ HTR2A P28223 1/20 0.38

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
SCHEMBL25221022 0.78 ALDH1A1 (0.65) KDM4EALDH1A1KCNA5
SCHEMBL25218549 0.76 MEN1 (0.43) KDM4EALDH1A1
SCHEMBL25269957 0.74 SIGMAR1 (0.41) SIGMAR1DRD2HTR2A
SCHEMBL25271091 0.74 LMNA (0.47) HRH2HRH1SIGMAR1KDM4EALDH1A1
SCHEMBL13983718 0.74 ALDH1A1 (0.56) ALDH1A1
SCHEMBL2550320 0.74 SIGMAR1 (0.70) SIGMAR1KDM4EALDH1A1KCNA5KCNH2
SCHEMBL2549342 0.72 SIGMAR1 (0.72) SIGMAR1KDM4EALDH1A1KCNA5KCNH2
Hydrochloric Acid SCHEMBL7982019 0.71 SIGMAR1 (0.70) SIGMAR1KDM4EALDH1A1KCNA5KCNH2
SCHEMBL10835727 0.71 CA12 (0.55) KDM4EALDH1A1
SCHEMBL25273244 0.71 DRD2 (0.52) SIGMAR1DRD2HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof WANG, ZHEMING (CN) 2024-02-29 — — US disclosed
US-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof WANG, ZHEMING (CN) 2024-02-29 — — US disclosed
US-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof WANG, ZHEMING (CN) 2024-02-29 — — US disclosed
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof WANG, Zheming (CN) 2024-01-16 — — US disclosed
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof WANG, Zheming (CN) 2024-01-16 — — US disclosed
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof WANG, Zheming (CN) 2024-01-16 — — US disclosed
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof Rushi Biotech (Hangzhou) Co., Ltd (CN) 2023-06-22 — — US disclosed
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof Rushi Biotech (Hangzhou) Co., Ltd (CN) 2023-06-22 — — US disclosed
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof Rushi Biotech (Hangzhou) Co., Ltd (CN) 2023-06-22 — — US 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 (3 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-20240067607-A1 Pyridinylcyanoguanidine Derivative and Use Thereof NAMPT, NAPRT, NNMT HRH2 2525/4885HRH1 2598/4885SIGMAR1 3861/4885
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof NAMPT, NAPRT, NNT HRH2 2472/4885HRH1 2597/4885SIGMAR1 3950/4885
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof NAMPT, NAPRT, NNT HRH2 2472/4885HRH1 2597/4885SIGMAR1 3950/4885

“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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