SCHEMBL2797348

SCHEMBL2797348

COC(=O)c1cc(Cl)c(OC)cc1OCC1CN(Cc2ccc(F)cc2)CCCO1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ DRD4 P21917 19/20 0.60
▸ MEN1 O00255 1/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CYP1A2 P05177 1/20 0.52
▸ CYP3A4 P08684 1/20 0.52
▸ HTR1A P08908 1/20 0.52
▸ ADRA2A P08913 1/20 0.52
▸ ADORA3 P0DMS8 1/20 0.52
▸ CYP2C9 P11712 1/20 0.52
▸ ADRA2B P18089 1/20 0.52
▸ HTR2C P28335 1/20 0.52
▸ SLC6A4 P31645 1/20 0.52
▸ CYP2C19 P33261 1/20 0.52
▸ DRD3 P35462 1/20 0.52
▸ HTR2B P41595 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ KCNH2 Q12809 1/20 0.52
▸ SIGMAR1 Q99720 1/20 0.52
▸ DRD2 P14416 1/20 0.51

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
SCHEMBL2796860 0.92 DRD4 (0.59) DRD4MEN1LMNACYP1A2CYP3A4
SCHEMBL2795186 0.78 EPHA2 (0.51) DRD4
SCHEMBL2792532 0.74 EPHA2 (0.49) HTR1ASLC6A4HTR2BKMT2A
SCHEMBL2796601 0.73 DRD4 (0.48) DRD4MEN1LMNACYP1A2CYP3A4
SCHEMBL13229844 0.72 DRD4 (0.46) DRD4MEN1CYP1A2KMT2AKCNH2
Oxalic Acid SCHEMBL6163601 0.71 DRD4 (0.89) DRD4DRD2
SCHEMBL5055750 0.71 CCR1 (0.65) —
SCHEMBL19236412 0.71 DRD3 (0.85) DRD4MEN1LMNACYP1A2CYP3A4
SCHEMBL2798486 0.71 HTR1A (0.43) HTR1ADRD3DRD2
SCHEMBL6161766 0.70 DRD4 (1.00) DRD4DRD2

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
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 — — WO disclosed
WO-2010077915-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-07-08 — — WO disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 — — US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 — — US disclosed
US-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS KHAMRAI UTTAM 2010-07-01 — — 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-20100168080-A1 NOVEL COMPOUNDS USEFUL AS CC CHEMOKINE RECEPTOR LIGANDS CCR1, CCR5, CCR3 DRD4 633/4885MEN1 4235/4885LMNA 4643/4885

“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.

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