SCHEMBL18879730

SCHEMBL18879730

CN1CCN(c2c(F)cc(OCCN3CCCC3)cc2F)CC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CCR4 P51679 3/20 0.51
LTA4H P09960 3/20 0.48
HRH3 Q9Y5N1 1/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PSMB1 P20618 3/20 0.43
PSMB5 P28074 3/20 0.43
PSMB2 P49721 2/20 0.43
CHRNB2 P17787 1/20 0.43
CHRNA4 P43681 1/20 0.43
USP2 O75604 1/20 0.43
HPGD P15428 1/20 0.43

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
SCHEMBL18879739 0.99 CCR4 (0.52) CCR4LTA4HHRH3KDM4EALDH1A1
SCHEMBL18879732 0.94 MEN1 (0.49) CCR4LTA4HHRH3KDM4EALDH1A1
SCHEMBL18879725 0.92 HRH3 (0.57) CCR4HRH3KDM4EALDH1A1USP2
SCHEMBL18879719 0.89 CCR4 (0.55) CCR4LTA4HHRH3KDM4EALDH1A1
SCHEMBL18876479 0.87 HRH3 (0.46) CCR4LTA4HHRH3KDM4EALDH1A1
SCHEMBL18879724 0.87 MEN1 (0.43) CCR4LTA4HHRH3KDM4EALDH1A1
SCHEMBL18876452 0.85 HRH3 (0.48) CCR4LTA4HHRH3KDM4EALDH1A1
SCHEMBL21122443 0.85 PSMB1 (0.48) CCR4LTA4HHRH3KDM4EALDH1A1
SCHEMBL18876442 0.85 MEN1 (0.42) CCR4LTA4HHRH3KDM4EALDH1A1
SCHEMBL18879767 0.85 MEN1 (0.42) CCR4LTA4HHRH3KDM4EALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3166945-B1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO LTD (KR) 2019-10-09 EP disclosed
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2019-01-15 US disclosed
US-9914737-B2 Triazolopyrimidinone or triazolopyridinone derivatives, and use thereof ST PHARM CO., LTD. (KR) 2018-03-13 US disclosed
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-06-15 US disclosed
US-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF ST PHARM CO., LTD. (KR) 2017-05-25 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-20170145016-A1 NOVEL TRIAZOLOPYRIMIDINONE OR TRIAZOLOPYRIDINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TNKS, TPI1 CCR4 4657/4885LTA4H 1196/4885HRH3 3759/4885
US-10179785-B2 Imidazotriazinone or imidazopyrazinone derivatives, and use thereof TNKS1BP1, TPI1, TPMT CCR4 4795/4885LTA4H 1210/4885HRH3 3441/4885
US-20170166572-A1 NOVEL IMIDAZOTRIAZINONE OR IMIDAZOPYRAZINONE DERIVATIVES, AND USE THEREOF TNKS1BP1, TPI1, TBKBP1 CCR4 4786/4885LTA4H 1194/4885HRH3 3679/4885

“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.