SCHEMBL6747009

SCHEMBL6747009

CC(Cc1ccccc1)(NC(=O)Cc1ccccc1F)C1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.46
▸ RAB9A P51151 3/20 0.41
▸ KDM4E B2RXH2 2/20 0.41
▸ SLC6A2 P23975 1/20 0.39
▸ SLC6A3 Q01959 1/20 0.39
▸ GPR119 Q8TDV5 1/20 0.39
▸ TRPV1 Q8NER1 1/20 0.38
▸ LMNA P02545 3/20 0.38
▸ ALDH1A1 P00352 2/20 0.38
▸ NPC1 O15118 2/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ ANO1 Q5XXA6 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ SSTR4 P31391 1/20 0.37
▸ TAAR1 Q96RJ0 1/20 0.37
▸ RIPK1 Q13546 1/20 0.37

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
SCHEMBL8035638 0.73 SIGMAR1 (0.61) SIGMAR1ALDH1A1NPC1SMN1; SMN2HPGD
SCHEMBL14800103 0.73 SSTR4 (0.48) RAB9ALMNANPC1SMN1; SMN2SSTR4
SCHEMBL1476176 0.70 SLC6A2 (0.48) SIGMAR1RAB9ASLC6A2SLC6A3ALDH1A1
Hydrochloric Acid SCHEMBL1474677 0.69 SLC6A2 (0.47) SIGMAR1RAB9ASLC6A2SLC6A3ALDH1A1
SCHEMBL11861949 0.67 HRH1 (0.53) SIGMAR1SLC6A2SLC6A3LMNATAAR1
SCHEMBL5310845 0.67 HRH1 (0.43) SLC6A2SLC6A3LMNASMN1; SMN2
SCHEMBL9978781 0.67 GBA1 (0.50) SIGMAR1SLC6A2SLC6A3LMNATAAR1
Hydrochloric Acid SCHEMBL11843236 0.66 HRH1 (0.51) SIGMAR1SLC6A2SLC6A3LMNATAAR1
Trifluoroacetic Acid SCHEMBL5037785 0.66 SLC6A2 (0.46) SIGMAR1KDM4ESLC6A2SLC6A3ALDH1A1
SCHEMBL12748513 0.66 SLC6A2 (0.43) SIGMAR1SLC6A2SLC6A3ALDH1A1

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-20040122049-A1 Novel piperidine derivatives as modulators of chemokine receptor ASTRAZENECA AB (SE) 2004-06-24 — — 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-20040122049-A1 Novel piperidine derivatives as modulators of chemokine receptor CCR5, CCR2, CXCR1 SIGMAR1 127/4885RAB9A 708/4885KDM4E 4504/4885

“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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