SCHEMBL25221938

SCHEMBL25221938

NCCCCCC1CCN(C(=O)c2occ3ccccc23)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 2/20 0.41
▸ CHRM1 P11229 4/20 0.41
▸ CHRM2 P08172 3/20 0.41
▸ CHRM3 P20309 3/20 0.41
▸ HTR2C P28335 2/20 0.38
▸ SSTR5 P35346 2/20 0.36
▸ SSTR4 P31391 1/20 0.35
▸ HDAC3 O15379 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC1 Q13547 1/20 0.35
▸ HDAC7 Q8WUI4 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC10 Q969S8 1/20 0.35
▸ HDAC11 Q96DB2 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ HDAC6 Q9UBN7 1/20 0.35
▸ HDAC9 Q9UKV0 1/20 0.35
▸ HDAC5 Q9UQL6 1/20 0.35
▸ SPR P35270 2/20 0.35
▸ FAAH O00519 1/20 0.35

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
SCHEMBL25262969 1.00 AKR1C3 (0.41) AKR1C3CHRM1CHRM2CHRM3HTR2C
SCHEMBL25259072 0.78 HDAC3 (0.55) CHRM1CHRM2CHRM3HDAC3HDAC4
SCHEMBL25236879 0.78 HDAC3 (0.55) CHRM1CHRM2CHRM3HDAC3HDAC4
SCHEMBL25273235 0.78 HDAC3 (0.55) CHRM1CHRM2CHRM3HDAC3HDAC4
SCHEMBL25277651 0.78 CHRNB2 (0.48) AKR1C3CHRM1CHRM2CHRM3SPR
SCHEMBL25642137 0.77 ALDH1A1 (0.58) AKR1C3
SCHEMBL25642135 0.77 ALDH1A1 (0.58) AKR1C3
SCHEMBL13738562 0.77 HDAC3 (0.56) CHRM1CHRM2CHRM3HDAC3HDAC4
SCHEMBL25222194 0.77 PKM (0.53) —
SCHEMBL25424661 0.77 PKM (0.53) —

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 4 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-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-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 AKR1C3 1604/4885CHRM1 3395/4885CHRM2 2521/4885
US-11873284-B2 Pyridinylcyanoguanidine derivative and use thereof NAMPT, NAPRT, NNT AKR1C3 1653/4885CHRM1 3364/4885CHRM2 2526/4885
US-20230192651-A1 Pyrrolidine Derivative and Use Thereof NAMPT, NAPRT, NNMT AKR1C3 1712/4885CHRM1 3927/4885CHRM2 3729/4885
US-20230192615-A1 Pyridinylcyanoguanidine Derivative and Use Thereof NAMPT, NAPRT, NNT AKR1C3 1653/4885CHRM1 3364/4885CHRM2 2526/4885

“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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