SCHEMBL25735212

SCHEMBL25735212

O=C(NCCCCCCC1CCN(C(=O)c2cc3ccccc3[nH]2)C1)Nc1ccnc(F)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C3 P42330 8/20 0.55
▸ NAMPT P43490 1/20 0.42
▸ HRH4 Q9H3N8 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ SLC6A2 P23975 1/20 0.40
▸ SLC6A4 P31645 1/20 0.40
▸ SYK P43405 2/20 0.40
▸ HDAC3 O15379 3/20 0.40
▸ HDAC4 P56524 3/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC7 Q8WUI4 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC11 Q96DB2 3/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HDAC9 Q9UKV0 3/20 0.40
▸ HDAC5 Q9UQL6 3/20 0.40
▸ HRH1 P35367 1/20 0.40

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
SCHEMBL25735166 0.90 AKR1C3 (0.59) AKR1C3NAMPTHRH4SLC6A2SLC6A4
SCHEMBL25735209 0.90 AKR1C3 (0.59) AKR1C3NAMPTHRH4SLC6A2SLC6A4
SCHEMBL25735150 0.86 CCR3 (0.41) AKR1C3NAMPTSLC6A2SLC6A4
SCHEMBL25735200 0.86 CCR3 (0.41) AKR1C3NAMPTSLC6A2SLC6A4
SCHEMBL25735199 0.85 NAMPT (0.48) NAMPTSLC6A2SLC6A4HDAC3HDAC4
SCHEMBL25735265 0.85 NAMPT (0.48) NAMPTSLC6A2SLC6A4HDAC3HDAC4
SCHEMBL25735155 0.85 NAMPT (0.48) NAMPTSLC6A2SLC6A4HDAC3HDAC4
SCHEMBL25735214 0.83 ALDH1A1 (0.43) NAMPTHRH4SLC6A2SLC6A4HDAC3
SCHEMBL25735202 0.82 PKM (0.44) NAMPTKMT2A
SCHEMBL25735157 0.82 PKM (0.44) NAMPTKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 (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-20230192651-A1 Pyrrolidine Derivative and Use Thereof NAMPT, NAPRT, NNMT AKR1C3 1712/4885NAMPT 1/4885HRH4 2867/4885

“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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