SCHEMBL3105108

SCHEMBL3105108

O=C(c1ccc(Cl)cc1)N1CCN(C2CN(C(=O)c3ccc(Cl)cc3Nc3ccc(Cl)cc3)CC2O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.45
CHRM4 P08173 1/20 0.45
CHRM5 P08912 1/20 0.45
CHRM1 P11229 1/20 0.45
ADRA2C P18825 1/20 0.45
CHRM3 P20309 1/20 0.45
OPRK1 P41145 1/20 0.45
MBTD1 Q05BQ5 1/20 0.45
TP53BP1 Q12888 1/20 0.45
L3MBTL4 Q8NA19 1/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
PHF20 Q9BVI0 1/20 0.45
MORF4L1 Q9UBU8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GRM5 P41594 6/20 0.43
MAPKAPK2 P49137 1/20 0.42
MAPT P10636 1/20 0.41
ABL1 P00519 1/20 0.40
BCR P11274 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL13157966 1.00 CHRM2 (0.45) CHRM2CHRM4CHRM5CHRM1ADRA2C
SCHEMBL3107714 0.95 TP53BP1 (0.52) CHRM2CHRM4CHRM5CHRM1ADRA2C
SCHEMBL13157828 0.95 TP53BP1 (0.52) CHRM2CHRM4CHRM5CHRM1ADRA2C
SCHEMBL3108008 0.88 POLB (0.43) MAPTPOLBUBE2MDCUN1D1KMT2A
SCHEMBL13604137 0.88 POLB (0.43) MAPTPOLBUBE2MDCUN1D1KMT2A
SCHEMBL13157809 0.88 POLB (0.43) MAPTPOLBUBE2MDCUN1D1KMT2A
SCHEMBL13157822 0.88 ALDH1A1 (0.47) MAPTABL1POLBKMT2ASLC18A3
SCHEMBL3098517 0.87 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1ADRA2C
SCHEMBL13157694 0.87 CHRM2 (0.47) CHRM2CHRM4CHRM5CHRM1ADRA2C
SCHEMBL3100888 0.86 FAAH (0.40) MAPT

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-8399455-B2 Compounds useful as chemokine receptor antagonists MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-03-19 US disclosed
US-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS MILLENNIUM PHARMACEUTICALS, INC. (US) 2010-09-16 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-20100234356-A1 COMPOUNDS USEFUL AS CHEMOKINE RECEPTOR ANTAGONISTS ACKR3, CCR5, CXCR2 CHRM2 1703/4885CHRM4 2339/4885CHRM5 1704/4885

“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.