SCHEMBL6715399

SCHEMBL6715399

CCn1nc(C)cc1C1CCN(CC[C@@H](NS(=O)(=O)c2ccccc2C)c2ccccc2)CC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PRCP P42785 1/20 0.40
CCR5 P51681 15/20 0.39
ATM Q13315 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
KMT2A Q03164 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
SCHEMBL5452648 0.90 CCR5 (0.42) PRCPCCR5KMT2A
SCHEMBL5467769 0.90 CCR5 (0.42) PRCPCCR5KMT2A
SCHEMBL5867337 0.86 KMT2A (0.41) PRCPCCR5KMT2A
SCHEMBL5867355 0.86 SIGMAR1 (0.43) PRCPCCR5KMT2A
Hydrochloric Acid SCHEMBL5463380 0.86 SIGMAR1 (0.43) PRCPCCR5KMT2A
Hydrochloric Acid SCHEMBL5448681 0.86 KMT2A (0.41) PRCPCCR5KMT2A
SCHEMBL5868117 0.85 HTR7 (0.42) PRCPCCR5L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL5459369 0.84 HTR7 (0.41) PRCPCCR5L3MBTL1KMT2A
Hydrochloric Acid SCHEMBL5867442 0.84 TP53 (0.43) PRCPCCR5KMT2A
SCHEMBL5458123 0.80 KMT2A (0.44) CCR5KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists MERCK SHARP & DOHME LTD. (GB) 2004-01-01 US claimed

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-20040002504-A1 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists KCNH3, KCNH2, KCNK3 PRCP 2192/4885CCR5 710/4885ATM 4028/4885

“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.