SCHEMBL2611069

SCHEMBL2611069

CC(C)c1cnc2ncccc2c1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 2/20 0.40
CCR8 P51685 2/20 0.40
CCR5 P51681 1/20 0.40
MET P08581 3/20 0.38
ACP1 P24666 1/20 0.38
UGT2B7 P16662 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
PSMD14 O00487 1/20 0.36
COPS5 Q92905 1/20 0.36
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 2/20 0.35
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL13228790 0.83 ALDH1A1 (0.38) CCR1CCR8CCR5METACP1
SCHEMBL21377459 0.82 CCR1 (0.62) CCR1CCR8CCR5TDP1PSMD14
SCHEMBL23775719 0.82 DHFR (0.35) CCR1CCR8CCR5UGT2B7
SCHEMBL21311729 0.81 ACP1 (0.33) METACP1TDP1PDE4APDE4B
SCHEMBL28219977 0.77 MET (0.41) METTP53MAPT
SCHEMBL21477606 0.76 DHFR (0.32)
SCHEMBL2619133 0.75 CCR1 (0.67) CCR1CCR8CCR5ACP1PSMD14
SCHEMBL12939768 0.74 HPGDS (0.41) UGT2B7MAPTALDH1A1
SCHEMBL13706081 0.74 CCR1 (0.52) CCR1CCR8CCR5UGT2B7TDP1
SCHEMBL21646368 0.74 ACP1 (0.47) CCR1CCR8CCR5METACP1

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 94 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-11-23 US disclosed
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE ESSA PHARMA INC. (CA) 2023-11-23 US disclosed
US-11780845-B2 FGFR inhibitors and methods of use thereof RELAY THERAPEUTICS, INC. (US) 2023-10-10 US disclosed
US-20230242531-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2023-08-03 US disclosed
US-20230192709-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF RELAY THERAPEUTICS, INC. 2023-06-22 US disclosed
US-20230192717-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY CASE WESTERN RESERVE UNIVERSITY 2023-06-22 US disclosed
US-20230192717-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY CASE WESTERN RESERVE UNIVERSITY 2023-06-22 US disclosed
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2023-05-02 US disclosed
US-20220332713-A1 Monoacylglycerol Lipase Modulators JANSSEN PHARMACEUTICA NV (BE) 2022-10-20 US disclosed
US-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NUVATION BIO OPERATING COMPANY INC (US) 2022-07-14 US disclosed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 US disclosed
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. 2009-12-24 US disclosed
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE GENENTECH, INC. (US) 2009-05-07 US disclosed
WO-2008136815-A2 5, 6-RING ANNULATED INDOLE DERIVATIVES AND USE THEREOF SCHERING CORPORATION (US) 2008-11-13 WO disclosed
WO-2008082484-A1 4,5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2008-07-10 WO disclosed
WO-2008082488-A1 4, 5-RING ANNULATED INDOLE DERIVATIVES FOR TREATING OR PREVENTING OF HCV AND RELATED VIRAL INFECTIONS SCHERING CORPORATION (US) 2008-07-10 WO disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PLRAMED LIMITED (GB) 2008-02-14 US disclosed
US-20070072862-A1 Bis-aryl amide compounds and methods of use AMGEN INC. 2007-03-29 US disclosed
WO-2007022380-A2 BIS-ARYL AMIDE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2007-02-22 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 (12 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-20220332713-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CCR1 4485/4885CCR8 4585/4885CCR5 4295/4885
US-20230242531-A1 Monoacylglycerol Lipase Modulators MGLL, LPL, PNLIP CCR1 4411/4885CCR8 4559/4885CCR5 4169/4885
US-20070072862-A1 Bis-aryl amide compounds and methods of use LCK, BTK, IRAK1 CCR1 333/4885CCR8 985/4885CCR5 547/4885
US-20220220111-A1 1,8-NAPHTHYRIDINONE COMPOUNDS AND USES THEREOF NME1, ADORA2A, GPR68 CCR1 1998/4885CCR8 522/4885CCR5 1436/4885
US-20230192709-A1 FGFR INHIBITORS AND METHODS OF USE THEREOF FGFR3, FGFR2, FGFR1 CCR1 4759/4885CCR8 4285/4885CCR5 4168/4885
US-20090318411-A1 PURINE PI3K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PIK3CD, PIK3CG CCR1 2518/4885CCR8 3757/4885CCR5 3156/4885
US-20080039459-A1 Phosphoinositide 3-kinase inhibitor compounds and methods of use PIK3CA, PI4KB, PI4KA CCR1 3752/4885CCR8 4634/4885CCR5 4442/4885
US-20090118275-A1 THIAZOLOPYRIMIDINE P13K INHIBITOR COMPOUNDS AND METHODS OF USE PIK3CA, PI4KB, PI4KA CCR1 2126/4885CCR8 3760/4885CCR5 3552/4885
US-20230192717-A1 COMPOSITIONS AND METHODS OF MODULATING SHORT-CHAIN DEHYDROGENASE ACTIVITY HPGD, GCDH, HPGDS CCR1 4220/4885CCR8 4567/4885CCR5 3341/4885
US-11639353-B2 Cyclobutanes- and azetidine-containing mono and spirocyclic compounds as αV integrin inhibitors ITGB1, ITGB2, ITGA1 CCR1 152/4885CCR8 508/4885CCR5 52/4885
US-11780845-B2 FGFR inhibitors and methods of use thereof FGFR3, FGFR2, FGFR1 CCR1 4759/4885CCR8 4285/4885CCR5 4168/4885
US-20230373934-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE AR, SHBG, NR5A1 CCR1 2393/4885CCR8 2043/4885CCR5 1298/4885

“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.