SCHEMBL3601680

SCHEMBL3601680

CC(C)(C)C(=O)ON1CCC(C(CC=O)c2ccccc2)CC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.36
FFAR1 O14842 1/20 0.36
FKBP1A P62942 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
CCL5 P13501 1/20 0.36
CCR5 P51681 1/20 0.36
KDM4E B2RXH2 1/20 0.35
GPR119 Q8TDV5 1/20 0.35
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 2/20 0.34
CYP2D6 P10635 2/20 0.34
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
ADRA1A P35348 1/20 0.34
OPRM1 P35372 1/20 0.34

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
SCHEMBL3594985 0.84 PKM (0.39) RIPK1FFAR1MEN1KMT2ACCL5
SCHEMBL5435616 0.82 GPR119 (0.53) MEN1KMT2AKDM4EGPR119MAPT
SCHEMBL3598951 0.81 ALDH1A1 (0.42) FFAR1KDM4ESLC6A2SLC6A3LMNA
SCHEMBL28754972 0.79 CYP3A4 (0.42) RIPK1MEN1KMT2AKDM4EGPR119
SCHEMBL6011500 0.74 CCL5 (0.48) CCL5CCR5CYP3A4CYP2D6KCNH2
SCHEMBL3600771 0.74 CCL5 (0.48) CCL5CCR5CYP3A4CYP2D6KCNH2
SCHEMBL5439360 0.73 SMN1; SMN2 (0.58) MEN1KMT2ACYP3A4CYP2D6TSHR
SCHEMBL27963052 0.72 RPS6KB1 (0.48) KDM4E
SCHEMBL7497731 0.72 ACHE (0.49) DRD3
SCHEMBL5508578 0.72 MEN1 (0.54) FFAR1MEN1KMT2AKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 US 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
EP-1742934-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 AstraZeneca AB (SE) 2007-01-17 EP disclosed
WO-2005101989-A2 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2005-11-03 WO 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 (4 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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 RIPK1 1199/4885FFAR1 218/4885FKBP1A 2937/4885
US-20040267016-A1 Piperidine derivatives and their use as modulators of chemokine receptor activity (especially ccr5) CCR5, CCR2, CCR1 RIPK1 1459/4885FFAR1 193/4885FKBP1A 3592/4885
US-20070161646-A1 Piperidine Derivatives and Their Use as Modulators of Chemokine Receptor Activity (Especially CCR5) CCR5, CCR2, CCL5 RIPK1 1464/4885FFAR1 209/4885FKBP1A 3775/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 RIPK1 1682/4885FFAR1 355/4885FKBP1A 2399/4885

“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.