SCHEMBL633451

SCHEMBL633451

Cc1cnn(C2CCC3(CC2)OCCO3)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OGA O60502 1/20 0.41
CHRNB2 P17787 1/20 0.37
CHRNA4 P43681 1/20 0.37
C5AR1 P21730 5/20 0.34
KMT2A Q03164 1/20 0.34
CYP2D6 P10635 2/20 0.34
HRH1 P35367 2/20 0.34
KCNH2 Q12809 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 2/20 0.32
LMNA P02545 2/20 0.32
NPC1 O15118 1/20 0.32
MAPT P10636 1/20 0.32
RAB9A P51151 1/20 0.32
POLB P06746 1/20 0.32
MAPK1 P28482 1/20 0.31
USP2 O75604 1/20 0.31
PDE10A Q9Y233 1/20 0.31

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
SCHEMBL30796037 0.84 KDM5A (0.33) C5AR1
SCHEMBL22013131 0.84 OGA (0.37) OGACHRNB2CHRNA4KMT2ACYP2D6
SCHEMBL633502 0.81 MPO (0.48) C5AR1KMT2AALDH1A1
SCHEMBL22097906 0.81 KDM5A (0.33) C5AR1ALDH1A1
SCHEMBL255397 0.79
SCHEMBL27322625 0.79 OGA (0.43) OGACHRNB2CHRNA4CYP2D6HRH1
SCHEMBL10100701 0.78 OGA (0.45) OGACHRNB2CHRNA4MAPK1
SCHEMBL25261004 0.76 FFAR1 (0.41)
SCHEMBL13432197 0.76 OGA (0.45) OGACHRNB2CHRNA4CYP2D6HRH1
SCHEMBL13465804 0.76 ACHE (0.47) OGACHRNB2CHRNA4CYP2D6HRH1

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-4727940-A1 DIHYDROPYRIMIDINE-2, 4 (1H, 3H) -DIONE-CONTAINING POLYCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREOF AND USE THEREOF Linkcure Therapeutics (KY) 2026-04-22 EP disclosed
WO-2024255810-A1 DIHYDROPYRIMIDINE-2, 4 (1H, 3H) -DIONE-CONTAINING POLYCYCLIC DERIVATIVES AND PHARMACEUTICAL COMPOSITION THEREOF, PREPARATION METHOD THEREOF AND USE THEREOF HANGZHOU GLUBIO PHARMACEUTICAL CO., LTD (CN) 2024-12-19 WO disclosed
WO-2021032148-A1 AMINOPYRAZINE COMPOUNDS AS HPK1 INHIBITOR AND THE USE THEREOF BEIGENE, LTD. (KY) 2021-02-25 WO disclosed
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 OGA 3887/4885CHRNB2 374/4885CHRNA4 490/4885

“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.