SCHEMBL633539

SCHEMBL633539

O=c1ccn(C2CCC3(CC2)OCCO3)cc1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.36
ALDH1A1 P00352 6/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
PKM P14618 1/20 0.34
ATM Q13315 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 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
SCHEMBL9813341 0.77 DRD2 (0.34) ALDH1A1POLBGAAPKM
SCHEMBL632098 0.72 C5AR1 (0.39) PARP1ALDH1A1POLBKDM4EGAA
SCHEMBL633430 0.72 GAA (0.43) PARP1ALDH1A1LMNAPOLBKDM4E
SCHEMBL633043 0.70 TSHR (0.43) PARP1ALDH1A1LMNAPOLBGAA
SCHEMBL9999097 0.69 ALDH1A1 (0.40) PARP1ALDH1A1LMNAPOLBKDM4E
SCHEMBL630160 0.69 BRD4 (0.33) ALDH1A1LMNAPOLBGAAL3MBTL1
SCHEMBL634035 0.69 ALDH1A1 (0.36) PARP1ALDH1A1LMNAKDM4EGAA
SCHEMBL633698 0.69 ALDH1A1 (0.46) PARP1ALDH1A1LMNAPOLBKDM4E
SCHEMBL12140835 0.69 CACNB4 (0.33) PARP1ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL633650 0.69 HPGD (0.36) PARP1ALDH1A1LMNAKDM4EGAA

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-2419418-B1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2015-04-15 EP disclosed
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
US-8324186-B2 4-azetidinyl-1-heteroatom linked-cyclohexane antagonists of CCR2 JANSSEN PHARMACEUTICA N.V. (BE) 2012-12-04 US disclosed
EP-2419418-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 Janssen Pharmaceutica, N.V. (BE) 2012-02-22 EP disclosed
WO-2010121036-A1 4-AZETIDINYL-1-HETEROATOM LINKED-CYCLOHEXANE ANTAGONISTS OF CCR2 JANSSEN PHARMACEUTICA NV (BE) 2010-10-21 WO 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
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 PARP1 1776/4885ALDH1A1 576/4885LMNA 4399/4885

“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.