SCHEMBL12121930

SCHEMBL12121930

NC1(c2ccc(Cl)cc2)CCN(Cc2ccccc2)CC1O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 2/20 0.58
▸ SIGMAR1 Q99720 2/20 0.48
▸ DOCK5 Q9H7D0 1/20 0.47
▸ OPRL1 P41146 3/20 0.46
▸ BCHE P06276 2/20 0.45
▸ ACHE P22303 2/20 0.45
▸ BACE1 P56817 2/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ POLB P06746 1/20 0.45
▸ DRD4 P21917 2/20 0.45
▸ TSHR P16473 1/20 0.44
▸ MEN1 O00255 1/20 0.44
▸ LMNA P02545 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ OPRM1 P35372 1/20 0.43
▸ DRD2 P14416 1/20 0.43
▸ DRD3 P35462 1/20 0.43

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
SCHEMBL10287516 0.83 CCR3 (0.63) CCR3SIGMAR1DOCK5OPRL1BCHE
SCHEMBL19147351 0.77 ALDH1A1 (0.50) SIGMAR1OPRL1ALDH1A1POLBTSHR
SCHEMBL735073 0.75 ALDH1A1 (0.54) CCR3SIGMAR1OPRL1ALDH1A1POLB
SCHEMBL735072 0.75 ALDH1A1 (0.54) CCR3SIGMAR1OPRL1ALDH1A1POLB
SCHEMBL29087415 0.74 CCR3 (0.61) CCR3SIGMAR1OPRL1POLBDRD4
SCHEMBL14702321 0.74 ALDH1A1 (0.53) SIGMAR1OPRL1ALDH1A1POLBTSHR
SCHEMBL4481641 0.74 OPRL1 (0.54) CCR3SIGMAR1OPRL1ALDH1A1POLB
SCHEMBL5155047 0.74 OPRL1 (0.54) CCR3SIGMAR1OPRL1ALDH1A1POLB
SCHEMBL16659923 0.74 OPRL1 (0.54) CCR3SIGMAR1OPRL1ALDH1A1POLB
SCHEMBL653218 0.74 CCR3 (1.00) CCR3SIGMAR1OPRL1POLBDRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8058287-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2011-11-15 — — US disclosed
US-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR KYOWA HAKKO KOGYO CO., LTD. (JP) 2009-11-12 — — 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-20090281081-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREFOR ACKR3, CCL11, CCR7 CCR3 22/4885SIGMAR1 749/4885DOCK5 854/4885

“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.

Send feedback