SCHEMBL613532

SCHEMBL613532

O=C1CC=C(c2ccc(O)cc2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
QDPR P09417 2/20 0.46
ESR2 Q92731 4/20 0.41
ESR1 P03372 2/20 0.40
SENP1 Q9P0U3 1/20 0.39
KMT2A Q03164 3/20 0.38
HSD17B1 P14061 3/20 0.38
MMP3 P08254 1/20 0.34
BCL2L1 Q07817 1/20 0.34
CYP3A4 P08684 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
MEN1 O00255 2/20 0.33
NPC1 O15118 2/20 0.33
MAPT P10636 2/20 0.33
NFKB1 P19838 2/20 0.33
RAB9A P51151 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
USP2 O75604 1/20 0.33
TP53 P04637 1/20 0.33
PKM P14618 1/20 0.33

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
SCHEMBL28347432 0.79 ESR1 (0.56) QDPRESR2ESR1SENP1KMT2A
SCHEMBL20010955 0.79 MAT2A (0.43) NPC1RAB9ASMN1; SMN2PKMALDH1A1
SCHEMBL11829890 0.79 SIGMAR1 (0.46) KMT2ACYP1A2MAPTKDM4EALDH1A1
SCHEMBL13324992 0.79 HTR2C (0.46) KMT2AMEN1MAPTCA12ALDH1A1
SCHEMBL6851839 0.79 MAPT (0.39) BCL2L1CYP3A4CYP1A2CYP2C9NPC1
SCHEMBL10131895 0.79 GAA (0.38) KMT2ACYP1A2CYP2C9MEN1TP53
SCHEMBL10198086 0.78 MAT2A (0.45) KMT2ACYP2C9MEN1NPC1MAPT
SCHEMBL8049144 0.78 ALDH1A1 (0.38) BCL2L1CYP3A4CYP1A2CYP2C9NPC1
SCHEMBL6454616 0.77 MAOA (0.40) ESR2ESR1KMT2AHSD17B1CYP3A4
SCHEMBL2719790 0.77 ESR1 (0.53) QDPRESR2ESR1SENP1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 EP disclosed
EP-2419419-B1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2014-12-03 EP disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
US-8513229-B2 4-Azetidinyl-1-phenyl-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA NV (BE) 2013-08-20 US disclosed
EP-2419419-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US disclosed
US-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-02-16 US disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
WO-2010121046-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 US disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA N. V. (BE) 2010-10-21 US disclosed
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-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 (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-20120040960-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 QDPR 222/4885ESR2 553/4885ESR1 904/4885
US-20100267689-A1 4-AZETIDINYL-1-PHENYL-CYCLOHEXANE ANTAGONISTS OF CCR2 CCR2, CCR1, CCR5 QDPR 222/4885ESR2 553/4885ESR1 904/4885

“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.