SCHEMBL25277651

SCHEMBL25277651

NCCCCCC1CCN(C(=O)c2occc2F)C1

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CHRNB2 P17787 2/20 0.48
▸ CHRNB4 P30926 2/20 0.48
▸ CHRNA3 P32297 2/20 0.48
▸ CHRNA4 P43681 2/20 0.48
▸ CHRM1 P11229 4/20 0.43
▸ CHRM2 P08172 3/20 0.43
▸ CHRM3 P20309 3/20 0.43
▸ PKM P14618 1/20 0.37
▸ ALDH1A1 P00352 6/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ AKR1C3 P42330 1/20 0.35
▸ FAAH O00519 1/20 0.35
▸ RAB9A P51151 2/20 0.35
▸ SPR P35270 1/20 0.35
▸ NPC1 O15118 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
SCHEMBL25224053 0.80 PKM (0.53) CHRNB2CHRNB4CHRNA3CHRNA4PKM
SCHEMBL25424661 0.80 PKM (0.53) CHRNB2CHRNB4CHRNA3CHRNA4PKM
SCHEMBL25222194 0.80 PKM (0.53) CHRNB2CHRNB4CHRNA3CHRNA4PKM
SCHEMBL25735171 0.79 KEAP1 (0.44) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL25262969 0.78 AKR1C3 (0.41) CHRM1CHRM2CHRM3AKR1C3FAAH
SCHEMBL25218549 0.77 MEN1 (0.43) CHRM1CHRM2CHRM3ALDH1A1MEN1
SCHEMBL25273766 0.77 AKR1C3 (0.39) CHRM1CHRM2CHRM3AKR1C3SPR
SCHEMBL25273235 0.77 HDAC3 (0.55) CHRM1CHRM2CHRM3FAAHRAB9A
SCHEMBL25259072 0.77 HDAC3 (0.55) CHRM1CHRM2CHRM3FAAHRAB9A
SCHEMBL25236879 0.77 HDAC3 (0.55) CHRM1CHRM2CHRM3FAAHRAB9A

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 12 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
US-20230192651-A1 Pyrrolidine Derivative and Use Thereof WANG, ZHEMING (CN) 2023-06-22 — — US disclosed
US-20230192651-A1 Pyrrolidine Derivative and Use Thereof WANG, ZHEMING (CN) 2023-06-22 — — US disclosed
US-20230192651-A1 Pyrrolidine Derivative and Use Thereof WANG, ZHEMING (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 (4 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 CHRNB2 3296/4885CHRNB4 3919/4885CHRNA3 1995/4885
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof NAMPT, NAPRT, NNT CHRNB2 3147/4885CHRNB4 3808/4885CHRNA3 1918/4885
US-20230192651-A1 Pyrrolidine Derivative and Use Thereof NAMPT, NAPRT, NNMT CHRNB2 4412/4885CHRNB4 4441/4885CHRNA3 3460/4885
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof NAMPT, NAPRT, NNT CHRNB2 3147/4885CHRNB4 3808/4885CHRNA3 1918/4885

“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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