SCHEMBL2487980

SCHEMBL2487980

O=C1CCC(O)(c2nc3ccc(Br)cc3s2)CC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 10/20 0.43
NPC1 O15118 8/20 0.43
ALDH1A1 P00352 2/20 0.43
CYP2C19 P33261 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 1/20 0.43
DYRK1A Q13627 1/20 0.43
TP53 P04637 1/20 0.43
HPGD P15428 1/20 0.43
CLK1 P49759 1/20 0.43
PPARA Q07869 2/20 0.42
HTT P42858 3/20 0.42
MAPT P10636 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
APP P05067 1/20 0.39
CYP2D6 P10635 1/20 0.38
CYP2B6 P20813 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37

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
SCHEMBL3673583 0.80 CASR (0.46) RAB9ANPC1ALDH1A1CYP2C19CYP1A2
SCHEMBL2507049 0.79 HTT (0.49) RAB9ANPC1ALDH1A1CYP2C19CYP1A2
SCHEMBL31385157 0.74 RAB9A (0.47) RAB9ANPC1ALDH1A1CYP2C19CYP1A2
SCHEMBL3678850 0.74 RAB9A (0.44) RAB9ANPC1ALDH1A1CYP2C19CYP1A2
SCHEMBL25339870 0.71 RAB9A (0.47) RAB9ANPC1ALDH1A1CYP2C19CYP1A2
SCHEMBL29895658 0.69 RAB9A (0.46) RAB9ANPC1ALDH1A1CYP2C19CYP1A2
SCHEMBL29690499 0.69 NPC1 (0.48) RAB9ANPC1ALDH1A1CYP2C19DYRK1A
SCHEMBL30034871 0.69 NPC1 (0.48) RAB9ANPC1ALDH1A1CYP2C19DYRK1A
SCHEMBL26910775 0.69 RAB9A (0.46) RAB9ANPC1ALDH1A1CYP2C19CYP1A2
SCHEMBL30036653 0.68 NPC1 (0.50) RAB9ANPC1ALDH1A1CYP2C19DYRK1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2376475-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-09-02 EP disclosed
EP-2376475-B1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-09-02 EP disclosed
US-8450304-B2 4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-28 US disclosed
US-8450304-B2 4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-28 US disclosed
US-8450304-B2 4-azetidinyl-1-heteroaryl-cyclohexanol antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2013-05-28 US disclosed
EP-2376475-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 Janssen Pharmaceutica N.V. (BE) 2011-10-19 EP disclosed
WO-2010068663-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 WO disclosed
WO-2010068663-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-06-17 WO disclosed
US-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-10 US disclosed
US-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-10 US disclosed
US-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-06-10 US 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-20100144695-A1 4-AZETIDINYL-1-HETEROARYL-CYCLOHEXANOL ANTAGONISTS OF CCR2 CCR2, CCR1, CCRL2 RAB9A 3790/4885NPC1 939/4885ALDH1A1 426/4885

“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.