SCHEMBL5439360

SCHEMBL5439360

O=CC[C@@H](c1ccccc1)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.58
NPC1 O15118 2/20 0.58
RAB9A P51151 2/20 0.58
CYP2C19 P33261 1/20 0.56
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
GRIN2B Q13224 9/20 0.48
HTT P42858 1/20 0.48
CYP2D6 P10635 4/20 0.47
CYP2C9 P11712 4/20 0.47
CYP3A4 P08684 3/20 0.45
ENPP2 Q13822 1/20 0.44
TSHR P16473 1/20 0.43

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
SCHEMBL27612215 0.85 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL5439442 0.85 SMN1; SMN2 (0.60) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2865352 0.83 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL6611266 0.83 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
Lithium Ion SCHEMBL6611264 0.83 SMN1; SMN2 (0.57) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2527608 0.82 SMN1; SMN2 (0.56) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL4534552 0.82 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL2792760 0.82 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19MEN1
SCHEMBL5435616 0.81 GPR119 (0.53) NPC1RAB9AMEN1KMT2AHTT
SCHEMBL450914 0.81 SMN1; SMN2 (0.64) SMN1; SMN2NPC1RAB9ACYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-100398535-C Piperidine derivatives and their use as modulators of chemokine receptor (especially CCR5) activity ASTRAZENECA AB (SE) 2008-07-02 CN disclosed
US-20070161646-A1 Piperidine Derivatives and Their Use as Modulators of Chemokine Receptor Activity (Especially CCR5) ASTRAZENECA AB (SE) 2007-07-12 US disclosed
US-7192973-B2 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially CCR5) ASTRAZENECA AB (SE) 2007-03-20 US disclosed
CN-1585763-A Piperidine derivatives and their use as modulators of chemokine receptor activity especially CCR5 ASTRAZENECA AB (SE) 2005-02-23 CN disclosed
US-20040267016-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) ASTRAZENECA AB (SE) 2004-12-30 US disclosed
EP-1448548-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) AstraZeneca AB (SE) 2004-08-25 EP disclosed
WO-2003042205-A1 PIPERIDINE DERIVATIVES AND THEIR USE AS MODULATORS OF CHEMOKINE RECEPTOR ACTIVITY (ESPECIALLY CCR5) ASTRAZENECA AB (SE) 2003-05-22 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-20040267016-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) CCR5, CCR2, CCR1 SMN1; SMN2 4013/4885NPC1 446/4885RAB9A 1866/4885
US-20070161646-A1 Piperidine Derivatives and Their Use as Modulators of Chemokine Receptor Activity (Especially CCR5) CCR5, CCR2, CCL5 SMN1; SMN2 4133/4885NPC1 518/4885RAB9A 1849/4885

“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.