SCHEMBL10287516

SCHEMBL10287516

OC1CN(Cc2ccccc2)CCC1(O)c1ccc(Cl)cc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR3 P51677 2/20 0.63
▸ ALDH1A1 P00352 3/20 0.56
▸ TSHR P16473 1/20 0.56
▸ MEN1 O00255 1/20 0.56
▸ LMNA P02545 1/20 0.56
▸ MAPT P10636 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ KMT2A Q03164 1/20 0.56
▸ OPRL1 P41146 3/20 0.50
▸ POLB P06746 1/20 0.49
▸ SIGMAR1 Q99720 2/20 0.49
▸ DOCK5 Q9H7D0 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ OPRM1 P35372 1/20 0.47
▸ BCHE P06276 1/20 0.45
▸ ACHE P22303 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ CCR1 P32246 1/20 0.44
▸ CHRM4 P08173 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
SCHEMBL8186451 0.84 NPC1 (0.56) ALDH1A1TSHRMEN1LMNAMAPT
SCHEMBL8186450 0.84 NPC1 (0.56) ALDH1A1TSHRMEN1LMNAMAPT
SCHEMBL12121930 0.83 CCR3 (0.58) CCR3ALDH1A1TSHRMEN1LMNA
SCHEMBL9714953 0.81 ALDH1A1 (0.83) CCR3ALDH1A1TSHRMEN1LMNA
SCHEMBL4481641 0.77 OPRL1 (0.54) CCR3ALDH1A1TSHRMEN1LMNA
SCHEMBL16659923 0.77 OPRL1 (0.54) CCR3ALDH1A1TSHRMEN1LMNA
SCHEMBL5155047 0.77 OPRL1 (0.54) CCR3ALDH1A1TSHRMEN1LMNA
SCHEMBL653218 0.77 CCR3 (1.00) CCR3TSHRMEN1LMNAKMT2A
SCHEMBL11558827 0.77 ALDH1A1 (0.67) CCR3ALDH1A1TSHRMEN1LMNA
SCHEMBL11741505 0.76 ALDH1A1 (0.87) CCR3ALDH1A1TSHRMEN1LMNA

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
US-9663537-B2 Chemokine receptor antagonists and methods of use MILLENNIUM PHARMACEUTICALS, INC. (US) 2017-05-30 — — US disclosed
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2016-02-04 — — US disclosed
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KIRIN CO., LTD. (JP) 2014-12-18 — — US disclosed
US-8653096-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2014-02-18 — — US disclosed
EP-2286811-B1 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARM INC (US) 2012-09-05 — — EP disclosed
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 — — US disclosed
EP-2286811-A1 Chemokine receptor antagonists and methods of use thereof Millennium Pharmaceuticals, Inc. (US) 2011-02-23 — — EP disclosed
US-7541365-B2 Chemokine receptor antagonists and methods of use therefor MILLENNIUM PHARMACEUTICALS, INC. (US) 2009-06-02 — — US disclosed
EP-1448566-B3 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF MILLENNIUM PHARM INC (US) 2009-04-08 — — EP disclosed
US-7271176-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-09-18 — — US disclosed
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2007-03-15 — — 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 (4 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-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR3 12/4885ALDH1A1 2146/4885TSHR 972/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR3 12/4885ALDH1A1 2146/4885TSHR 972/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR3 12/4885ALDH1A1 2146/4885TSHR 972/4885
US-20070060592-A1 heterocylic amines such as 2-(5-{3-[4-(4-Chloro-2-methyl-phenyl)-piperazin-1-yl]-propylidene}-5,11-dihydro-10-oxa-1-aza-dibenzo[a,d]cyclohepten-7-yl)-propan-2-ol, used for treating diseases associated with aberrant leukocyte recruitment and/or activation THPO, NFATC1, HPGDS CCR3 61/4885ALDH1A1 389/4885TSHR 3038/4885

“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.

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