SCHEMBL3068577

SCHEMBL3068577

COc1cc(C2(O)CCNCC2)ccc1Cl

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 1/20 0.54
SIGMAR1 Q99720 1/20 0.51
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
SLC6A2 P23975 12/20 0.40
SLC6A4 P31645 12/20 0.40
KDM4E B2RXH2 1/20 0.39
SLC6A3 Q01959 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2D6 P10635 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39

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
Hydrochloric Acid SCHEMBL3066723 0.98 DRD2 (0.53) DRD2SIGMAR1MAPTMAPK1SLC6A2
Hydrochloric Acid SCHEMBL31084073 0.86 SIGMAR1 (0.39) DRD2SIGMAR1MAPTMAPK1SLC6A2
SCHEMBL2269119 0.86 SIGMAR1 (0.55) DRD2SIGMAR1MAPK1SLC6A2SLC6A4
SCHEMBL13754275 0.82 SLC6A2 (0.39) DRD2SIGMAR1SLC6A2SLC6A4SLC6A3
SCHEMBL27573377 0.82 SIGMAR1 (0.51) DRD2SIGMAR1MAPTMAPK1SLC6A2
SCHEMBL13754265 0.81 SLC6A2 (0.63) SLC6A2SLC6A4SLC6A3CYP1A2CYP3A4
SCHEMBL13761264 0.81 MAPK1 (0.51) DRD2SIGMAR1MAPTMAPK1SLC6A2
SCHEMBL14542960 0.81 MAPT (0.49) DRD2MAPTMAPK1SLC6A2SLC6A4
SCHEMBL654759 0.80 DRD2 (0.65) DRD2SLC6A2SLC6A4SLC6A3CYP2D6
SCHEMBL13754264 0.80 LMNA (0.44) CYP3A4CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
US-7790726-B2 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2010-09-07 US disclosed
US-7576218-B2 4-phenylpiperdine-pyrazole CCR1 antagonists CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
US-7576218-B2 4-phenylpiperdine-pyrazole CCR1 antagonists CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
US-7576218-B2 4-phenylpiperdine-pyrazole CCR1 antagonists CHEMOCENTRYX, INC. (US) 2009-08-18 US disclosed
EP-1931348-A4 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX INC (US) 2009-08-12 EP disclosed
EP-1931348-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE ChemoCentryx Inc (US) 2008-06-18 EP disclosed
WO-2007044804-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 WO disclosed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 US disclosed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 US disclosed
US-20070088036-A1 Piperidine derivatives and methods of use CHEMOCENTRYX, INC. (US) 2007-04-19 US disclosed
WO-2007044804-A2 PIPERIDINE DERIVATIVES AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-04-19 WO disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CHEMOCENTRYX, INC. (US) 2007-03-22 US disclosed
WO-2007022257-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, INC. (US) 2007-02-22 WO disclosed
WO-2007022257-A2 MONOCYCLIC AND BICYCLIC COMPOUNDS AND METHODS OF USE CHEMOCENTRYX, 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 (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-20070088036-A1 Piperidine derivatives and methods of use CCR1, CCR3, CCR4 DRD2 613/4885SIGMAR1 160/4885MAPT 3976/4885
US-20070066583-A1 Monocyclic and bicyclic compounds and methods of use CCR1, CCR3, CCR4 DRD2 1809/4885SIGMAR1 369/4885MAPT 3597/4885

“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.