SCHEMBL3179675

SCHEMBL3179675

COc1ccc(N2CCCC3(CC2)OCCO3)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
KMT2A Q03164 5/20 0.50
ALDH1A1 P00352 8/20 0.48
MEN1 O00255 3/20 0.48
HTR3E A5X5Y0 1/20 0.47
HTR3B O95264 1/20 0.47
ADRB1 P08588 1/20 0.47
HTR3A P46098 1/20 0.47
HTR3D Q70Z44 1/20 0.47
HTR3C Q8WXA8 1/20 0.47
SIGMAR1 Q99720 1/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 3/20 0.46
LGMN Q99538 1/20 0.46
AKR1C3 P42330 1/20 0.46
HSD17B10 Q99714 2/20 0.46
HCRTR1 O43613 1/20 0.46
GAA P10253 1/20 0.46
HPGD P15428 1/20 0.46
CASP1 P29466 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
SCHEMBL737198 0.94 POLB (0.58) POLBKMT2AALDH1A1MEN1HTR3E
SCHEMBL17893792 0.81 ADRB1 (0.53) POLBKMT2AALDH1A1MEN1ADRB1
SCHEMBL14117690 0.78 ADRB1 (0.56) POLBKMT2AALDH1A1MEN1ADRB1
SCHEMBL6074051 0.78 KMT2A (0.74) POLBKMT2AALDH1A1MEN1KDM4E
SCHEMBL28129519 0.77 HTR3E (0.68) POLBKMT2AALDH1A1HTR3EHTR3B
SCHEMBL2925759 0.77 HTR3E (0.68) POLBKMT2AALDH1A1MEN1HTR3E
SCHEMBL14117662 0.76 LGMN (0.54) KMT2AALDH1A1MEN1ADRB1KDM4E
SCHEMBL14117664 0.76 LTA4H (0.55) POLBKMT2AALDH1A1KDM4EMAPT
SCHEMBL17893844 0.75 FFAR4 (0.54) POLBKMT2AALDH1A1MEN1ADRB1
SCHEMBL608791 0.75 CHRNB2 (0.56) POLBKMT2AALDH1A1KDM4EMAPT

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-20100016289-A1 Compounds Useful as Antagonists of CCR2 MILLENNIUM PHARMACEUTICALS, INC. 2010-01-21 US disclosed
WO-2007053495-A2 COMPOUNDS USEFUL AS ANTAGONISTS OF CCR2 MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-05-10 WO 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-20100016289-A1 Compounds Useful as Antagonists of CCR2 CCR2, CCR1, CXCR3 POLB 3354/4885KMT2A 2789/4885ALDH1A1 1338/4885

“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.