SCHEMBL6082644

SCHEMBL6082644

O=C(O)N1CCCC(=Cc2ccc(F)cc2)C1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ LMNA P02545 1/20 0.46
▸ TP53 P04637 1/20 0.46
▸ ACHE P22303 1/20 0.42
▸ PAX8 Q06710 1/20 0.42
▸ HSD11B1 P28845 2/20 0.41
▸ RAB9A P51151 2/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ SRD5A2 P31213 5/20 0.39
▸ GAA P10253 1/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ MEN1 O00255 2/20 0.38
▸ S1PR1 P21453 1/20 0.38
▸ OGA O60502 1/20 0.36

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
SCHEMBL6082641 1.00 ALDH1A1 (0.46) ALDH1A1LMNATP53ACHEPAX8
SCHEMBL17296082 0.84 ACHE (0.48) ALDH1A1LMNATP53ACHEPAX8
SCHEMBL15608176 0.83 NFE2L2 (0.46) ALDH1A1RAB9ANPC1
SCHEMBL13738308 0.83 NFE2L2 (0.46) ALDH1A1RAB9ANPC1
SCHEMBL19994676 0.81 SRD5A2 (0.48) ALDH1A1LMNATP53ACHEPAX8
SCHEMBL5341385 0.80 ESR2 (0.43) ALDH1A1LMNATP53GAAKMT2A
SCHEMBL5341383 0.80 ESR2 (0.43) ALDH1A1LMNATP53GAAKMT2A
SCHEMBL15667982 0.76 HTT (0.34) ALDH1A1LMNASRD5A2
SCHEMBL17602847 0.76 HTT (0.34) ALDH1A1LMNASRD5A2
SCHEMBL23887638 0.76 SRD5A2 (0.43) SRD5A2S1PR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3765458-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS Biogen MA Inc. (US) 2021-01-20 — — EP disclosed
WO-2019178191-A1 O-GLYCOPROTEIN-2-ACETAMIDO-2-DEOXY-3-D-GLYCOPYRANOSIDASE INHIBITORS BIOGEN MA INC. (US) 2019-09-19 — — WO disclosed
US-6984651-B2 Piperidine amides as modulators of chemokine receptor activity BRISTOL-MYERS SQUIBB PHARMA, COMPANY (US) 2006-01-10 — — US disclosed
US-20040082790-A1 Piperidine amides as modulators of chemokine receptor activity DUNCIA JOHN V (US) 2004-04-29 — — US disclosed
US-6638950-B2 Antiasthmatics and antiallergens, treating autoimmune pathologies such as rheumatoid arthritis and atherosclerosis BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-10-28 — — US disclosed
EP-1296949-A2 PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Bristol-Myers Squibb Pharma Company (US) 2003-04-02 — — EP disclosed
US-20020156102-A1 Piperidine amides as modulators of chemo kine receptor activity BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-10-24 — — US disclosed
WO-2001098268-A2 PIPERIDINE AMIDES AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2001-12-27 — — WO 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-20020156102-A1 Piperidine amides as modulators of chemo kine receptor activity CCR3, CCR1, ACKR3 ALDH1A1 1698/4885LMNA 4487/4885TP53 4393/4885
US-20040082790-A1 Piperidine amides as modulators of chemokine receptor activity CCR3, CCR1, CCL11 ALDH1A1 722/4885LMNA 4607/4885TP53 4601/4885

“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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