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SCHEMBL5466360

SCHEMBL5466360

CCN1C=C(Cc2ccccc2)N=C(C2CCN(CC[C@@H](NS(=O)(=O)c3cccs3)c3ccccc3)CC2)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 9/20 0.40
▸ HTR7 P34969 5/20 0.38
▸ HTR6 P50406 5/20 0.38
▸ DRD2 P14416 5/20 0.38
▸ HTR1A P08908 4/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ HTR2A P28223 3/20 0.34
▸ TP53 P04637 1/20 0.34
▸ KMT2A Q03164 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ DRD3 P35462 1/20 0.33

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
SCHEMBL5466362 0.87 CCR5 (0.40) CCR5HTR7HTR6DRD2HTR1A
SCHEMBL5453970 0.79 CCR5 (0.46) CCR5
SCHEMBL5453879 0.78 CCR5 (0.41) CCR5HTR7HTR1AALDH1A1
SCHEMBL5459461 0.78 CCR5 (0.41) CCR5HTR7HTR1AALDH1A1
SCHEMBL6007222 0.76 ALDH1A1 (0.56) CCR5HTR7HTR6DRD2HTR1A
SCHEMBL5456312 0.74 DRD2 (0.38) CCR5HTR7HTR6DRD2
SCHEMBL5466461 0.74 SIGMAR1 (0.42) CCR5HTR7HTR6DRD2HTR1A
SCHEMBL5466311 0.74 CCR5 (0.43) CCR5HTR7HTR6DRD2HTR1A
SCHEMBL5449629 0.73 CCR5 (0.47) CCR5HTR7HTR6DRD2HTR1A
SCHEMBL5459464 0.71 CCR5 (0.41) CCR5ALDH1A1

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-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
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists CHAMBERS MARK S 2007-05-24 — — US disclosed
US-7153868-B2 N-(3-(4-substituted-1-piperidinyl)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists MERCK SHARP & DOHME LTD. 2006-12-26 — — US disclosed
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 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 (2 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 CCR5 710/4885HTR7 867/4885HTR6 527/4885
US-20070117847-A1 N-(3-(4-Substituted-1-piperiding1)-1-phenylpropyl) substituted sulfonamides as NK-3 receptor antagonists TACR2, KCNK3, KCNH3 CCR5 1040/4885HTR7 1369/4885HTR6 1079/4885

“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.