SCHEMBL4985728

SCHEMBL4985728

O=C(OCc1ccccc1)N1CCCCC1Br

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.53
▸ NPC1 O15118 1/20 0.53
▸ RAB9A P51151 1/20 0.53
▸ FKBP1A P62942 2/20 0.53
▸ PREP P48147 3/20 0.53
▸ TMEM97 Q5BJF2 3/20 0.52
▸ SIGMAR1 Q99720 3/20 0.52
▸ CYP2C19 P33261 1/20 0.51
▸ ACE2 Q9BYF1 2/20 0.51
▸ CTRB1 P17538 1/20 0.50
▸ CTSB P07858 1/20 0.49
▸ CTSS P25774 1/20 0.49
▸ CTSK P43235 1/20 0.49
▸ NPSR1 Q6W5P4 1/20 0.49

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
SCHEMBL5326054 0.84 SMN1; SMN2 (0.55) SMN1; SMN2NPC1RAB9AFKBP1APREP
SCHEMBL5376822 0.83 SMN1; SMN2 (0.53) SMN1; SMN2NPC1RAB9AFKBP1APREP
SCHEMBL8329198 0.83 PREP (0.56) SMN1; SMN2NPC1RAB9AFKBP1APREP
SCHEMBL630241 0.83 PREP (0.62) SMN1; SMN2NPC1RAB9AFKBP1APREP
SCHEMBL82714 0.83 PREP (0.62) SMN1; SMN2NPC1RAB9AFKBP1APREP
SCHEMBL25756732 0.83 FKBP1A (0.56) SMN1; SMN2NPC1RAB9AFKBP1APREP
SCHEMBL14646671 0.83 FKBP1A (0.56) SMN1; SMN2NPC1RAB9AFKBP1APREP
SCHEMBL630208 0.83 PREP (0.62) SMN1; SMN2NPC1RAB9AFKBP1APREP
SCHEMBL7650461 0.82 PREP (0.61) SMN1; SMN2NPC1RAB9AFKBP1APREP
SCHEMBL7648948 0.82 PREP (0.61) SMN1; SMN2NPC1RAB9AFKBP1APREP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7390803-B2 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK & CO., INC. (US) 2008-06-24 — — US disclosed
EP-1558243-A4 TETRAHYDROPYRANYL CYCLOPENTYL BENZYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO INC (US) 2006-11-02 — — EP disclosed
US-20060116421-A1 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity MERCK SHARP & DOHME CORP. 2006-06-01 — — US disclosed
EP-1558243-A2 TETRAHYDROPYRANYL CYCLOPENTYL BENZYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY Merck & Co., Inc. (US) 2005-08-03 — — EP disclosed
WO-2004041161-A2 TETRAHYDROPYRANYL CYCLOPENTYL BENZYLAMIDE MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY MERCK & CO., INC. (US) 2004-05-21 — — 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 (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-20060116421-A1 Tetrahydropyranyl cyclopentyl benzylamide modulators of chemokine receptor activity CCR2, CCR1, CCR9 SMN1; SMN2 4030/4885NPC1 1688/4885RAB9A 926/4885

“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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