SCHEMBL7212124

SCHEMBL7212124

OC1(c2ccc(Cl)cc2)CCN(CCC=C2c3cc(OCCN4CCOCC4)ccc3OCc3ncccc32)CC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCR1 P32246 3/20 0.57
CHRM2 P08172 1/20 0.47
CCR5 P51681 1/20 0.47
DRD2 P14416 4/20 0.41
DRD3 P35462 2/20 0.41
HTR1A P08908 1/20 0.41
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
SLC6A2 P23975 1/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 1/20 0.41
HTR7 P34969 1/20 0.41
HRH1 P35367 1/20 0.41
HTR2B P41595 1/20 0.41
HRH3 Q9Y5N1 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
KDM4E B2RXH2 2/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
CNR1 P21554 1/20 0.37

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
SCHEMBL7212122 1.00 CCR1 (0.57) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL14580040 0.96 CCR1 (0.53) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL7211475 0.92 CCR1 (0.59) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL7211479 0.92 CCR1 (0.59) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL14419982 0.91 CCR1 (0.59) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL14419951 0.91 CCR1 (0.59) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL10287610 0.91 CCR1 (0.60) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL13620889 0.91 CCR1 (0.60) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL10288251 0.91 CCR1 (0.60) CCR1CHRM2CCR5DRD2DRD3
SCHEMBL14580314 0.91 CCR1 (0.72) CCR1CHRM2CCR5DRD2KDM4E

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 7 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
US-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF KYOWA HAKKO KOGYO CO., LTD. (JP) 2012-02-23 US disclosed
US-7271176-B2 Chemokine receptor antagonists and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-09-18 US disclosed
US-6613905-B1 Treating or preventing a disease associated with aberrant leukocyte recruitment and/or activation MILLENNIUM PHARMACEUTICALS, INC. 2003-09-02 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-20120046311-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR1 9/4885CHRM2 747/4885CCR5 4/4885
US-20160031908-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR1 9/4885CHRM2 747/4885CCR5 4/4885
US-20140371207-A1 CHEMOKINE RECEPTOR ANTAGONISTS AND METHODS OF USE THEREOF ACKR3, CCR2, CXCR2 CCR1 9/4885CHRM2 747/4885CCR5 4/4885

“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.