SCHEMBL25735180

SCHEMBL25735180

O=C(NCCCCCC1CCN(C(=O)c2cc3ccccc3o2)C1)Nc1cc(F)nc(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ RAB9A P51151 3/20 0.45
▸ NPC1 O15118 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ SLC6A2 P23975 1/20 0.43
▸ SLC6A4 P31645 1/20 0.43
▸ HDAC3 O15379 1/20 0.42
▸ HDAC4 P56524 1/20 0.42
▸ HDAC1 Q13547 1/20 0.42
▸ HDAC7 Q8WUI4 1/20 0.42
▸ HDAC2 Q92769 1/20 0.42
▸ HDAC10 Q969S8 1/20 0.42
▸ HDAC11 Q96DB2 1/20 0.42
▸ HDAC8 Q9BY41 1/20 0.42
▸ HDAC6 Q9UBN7 1/20 0.42
▸ HDAC9 Q9UKV0 1/20 0.42
▸ HDAC5 Q9UQL6 1/20 0.42
▸ POLB P06746 1/20 0.41

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
SCHEMBL25735214 0.92 ALDH1A1 (0.43) ALDH1A1RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL25735211 0.89 NPC1 (0.47) ALDH1A1RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL25735167 0.89 NPC1 (0.47) ALDH1A1RAB9ANPC1HPGDSMN1; SMN2
SCHEMBL25735179 0.86 PKM (0.46) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL25735206 0.86 PKM (0.46) ALDH1A1RAB9ANPC1SMN1; SMN2POLB
SCHEMBL25735161 0.85 NAMPT (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25735205 0.85 NAMPT (0.51) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL25735177 0.81 NAMPT (0.42) SLC6A2SLC6A4HTR2ACCR3
SCHEMBL25735208 0.81 NAMPT (0.42) SLC6A2SLC6A4HTR2ACCR3
SCHEMBL25642135 0.79 ALDH1A1 (0.58) ALDH1A1RAB9ANPC1HPGDSMN1; SMN2

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 ALDH1A1 1525/4885RAB9A 3030/4885NPC1 1650/4885

“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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