SCHEMBL2743296

SCHEMBL2743296

CC(=O)c1cccc(C2CCN(C)CC2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 1/20 0.60
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
QDPR P09417 2/20 0.51
KMO O15229 1/20 0.50
KMT2A Q03164 2/20 0.48
NPC1 O15118 1/20 0.46
MAPT P10636 1/20 0.46
GSK3B P49841 2/20 0.46
DYRK1A Q13627 2/20 0.46
DRD2 P14416 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
HDAC3 O15379 1/20 0.44
HDAC4 P56524 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC7 Q8WUI4 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC10 Q969S8 1/20 0.44

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
SCHEMBL2743290 0.91 DRD3 (0.64) DRD3ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL25513437 0.89 DRD3 (0.51) DRD3ALDH1A1LMNAPOLBL3MBTL1
SCHEMBL10078311 0.88 KMO (0.67) DRD3QDPRKMOKMT2AGSK3B
SCHEMBL2908064 0.87 KMO (0.59) DRD3ALDH1A1LMNAKMOKMT2A
SCHEMBL4827439 0.84 DRD3 (0.75) DRD3DRD2SIGMAR1
SCHEMBL26471704 0.84 KMT2A (0.50) DRD3ALDH1A1POLBQDPRKMO
SCHEMBL12049805 0.84 MLYCD (0.54) L3MBTL1QDPRKMOKMT2AGSK3B
SCHEMBL19862476 0.83 KMO (0.70) DRD3ALDH1A1LMNAKMOKMT2A
SCHEMBL9338681 0.82 KMO (0.73) DRD3ALDH1A1LMNAKMOKMT2A
SCHEMBL16488097 0.81 QDPR (0.46) DRD3ALDH1A1LMNAPOLBL3MBTL1

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
WO-2021159993-A1 INHIBITORS OF INTERLEUKIN-1 RECEPTOR ASSOCIATED KINASE (IRAK) /FMS-LIKE RECEPTOR TYROSINE KINASE (FLT3), PHARMACEUTICAL PRODUCTS THEREOF, AND METHODS THEREOF PHARMABLOCK SCIENCES (NANJING) , INC. (CN) 2021-08-19 WO disclosed
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF ANKURA TRUST COMPANY, LLC, AS ADMINISTRATIVE AND COLLATERAL AGENT 2017-12-21 US disclosed
US-9670222-B2 CCR2 receptor antagonists and uses thereof CENTREXION THERAPEUTICS CORPORATION (US) 2017-06-06 US disclosed
US-20140235661-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-08-21 US disclosed
US-8765949-B2 CCR2 receptor antagonists and uses thereof BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-01 US disclosed
US-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-05 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 (3 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-20120004252-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 DRD3 1313/4885ALDH1A1 2073/4885LMNA 4671/4885
US-20140235661-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 DRD3 1313/4885ALDH1A1 2073/4885LMNA 4671/4885
US-20170362249-A1 NEW CCR2 RECEPTOR ANTAGONISTS AND USES THEREOF CCR2, CCRL2, CCR1 DRD3 1313/4885ALDH1A1 2073/4885LMNA 4671/4885

“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.