SCHEMBL13110264

SCHEMBL13110264

O=C1Nc2ccccc2C2(CCC3(CC2)OCCO3)O1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.45
TP53 P04637 1/20 0.45
CYP3A4 P08684 1/20 0.45
MAPT P10636 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
CALCRL Q16602 3/20 0.43
GAA P10253 2/20 0.42
POLB P06746 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 1/20 0.42
AVPR1A P37288 1/20 0.41
PLD2 O14939 1/20 0.40
PLD1 Q13393 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
PDE7A Q13946 1/20 0.36
DGAT1 O75907 1/20 0.35
BACE1 P56817 1/20 0.35

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
SCHEMBL3276684 0.82 TP53 (0.44) MAPK1TP53CYP3A4MAPTALOX15
SCHEMBL4848524 0.82 MAPK1 (0.49) MAPK1TP53CYP3A4MAPTALOX15
SCHEMBL5516089 0.82 MAPK1 (0.49) MAPK1TP53CYP3A4MAPTALOX15
SCHEMBL722997 0.80 BACE1 (0.47) MAPK1TP53CYP3A4MAPTALOX15
SCHEMBL13110266 0.80 MAPK1 (0.47) MAPK1TP53CYP3A4MAPTALOX15
Hydrochloric Acid SCHEMBL1285606 0.78 MAPK1 (0.49) MAPK1TP53CYP3A4MAPTALOX15
SCHEMBL13110260 0.76 SIGMAR1 (0.51) AVPR1A
SCHEMBL13806583 0.76 TP53 (0.53) MAPK1TP53CYP3A4MAPTALOX15
SCHEMBL13880279 0.76 TSHR (0.45) MAPK1TP53CYP3A4MAPTALOX15
SCHEMBL1700111 0.76 TP53 (0.56) MAPK1TP53CYP3A4MAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419418-B1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-04-15 EP disclosed
US-8324186-B2 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-04 US disclosed
US-8324186-B2 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-04 US disclosed
WO-2010121036-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 US disclosed
US-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2010-10-21 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-20100267668-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CXCR2 MAPK1 1872/4885TP53 4526/4885CYP3A4 1355/4885

“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.