SCHEMBL894352

SCHEMBL894352

O=P1(CC2CC2)CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 1/20 0.54
SIGMAR1 Q99720 3/20 0.53
ACHE P22303 5/20 0.51
ALDH1A1 P00352 1/20 0.48
CXCR4 P61073 1/20 0.48
HTR2A P28223 1/20 0.48
DRD2 P14416 1/20 0.47
DRD4 P21917 1/20 0.47
DRD3 P35462 1/20 0.47
BCHE P06276 3/20 0.47
BACE1 P56817 1/20 0.46
MC4R P32245 1/20 0.46

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
SCHEMBL893609 0.79 SIGMAR1 (0.55) CCR3SIGMAR1ACHEHTR2ADRD2
SCHEMBL18574648 0.76 SIGMAR1 (0.61) SIGMAR1ALDH1A1DRD4MC4R
SCHEMBL895077 0.76 SIGMAR1 (0.61) CCR3SIGMAR1ACHEALDH1A1DRD4
SCHEMBL894392 0.75 SIGMAR1 (0.59) CCR3SIGMAR1ACHEALDH1A1DRD4
SCHEMBL15140944 0.74 CCR3 (0.73) CCR3SIGMAR1ACHEALDH1A1CXCR4
SCHEMBL4257757 0.73 ACHE (0.69) CCR3SIGMAR1ACHEALDH1A1CXCR4
SCHEMBL8191786 0.73 CCR3 (0.96) CCR3SIGMAR1ACHEALDH1A1CXCR4
SCHEMBL7977320 0.73 CCR3 (0.96) CCR3SIGMAR1ACHEALDH1A1CXCR4
SCHEMBL2507062 0.72 SIGMAR1 (0.55) SIGMAR1ACHEALDH1A1DRD4MC4R
SCHEMBL8188324 0.72 SIGMAR1 (1.00) CCR3SIGMAR1ACHEDRD4MC4R

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-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-05-03 US disclosed
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-26 US disclosed
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2012-04-05 US disclosed
US-8067395-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2011-11-29 US disclosed
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2010-02-11 US disclosed
US-7625880-B2 Inhibitors of tyrosine kinases and uses thereof PHARMACYCLICS, INC. (US) 2009-12-01 US disclosed
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF PHARMACYCLICS, INC. (US) 2008-02-14 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 (5 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-20120108547-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CCR3 2966/4885SIGMAR1 4271/4885ACHE 3396/4885
US-20100035841-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CCR3 2966/4885SIGMAR1 4271/4885ACHE 3396/4885
US-20120083470-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CCR3 2966/4885SIGMAR1 4271/4885ACHE 3396/4885
US-20080039426-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CCR3 2966/4885SIGMAR1 4271/4885ACHE 3396/4885
US-20120101065-A1 INHIBITORS OF TYROSINE KINASES AND USES THEREOF LCK, ABL1, SRC CCR3 2966/4885SIGMAR1 4271/4885ACHE 3396/4885

“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.