Sugi Predict

Sugi Predict / Compounds / SCHEMBL3869084

SCHEMBL3869084

SCHEMBL3869084

COc1cccc(C(=O)NCC(=O)N[C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccc(Cl)cc2)c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CXCR6 O00574 2/20 0.61
▸ CCR2 P41597 10/20 0.57
▸ DRD4 P21917 1/20 0.53
▸ KDM4E B2RXH2 1/20 0.51
▸ MEN1 O00255 1/20 0.51
▸ ALDH1A1 P00352 1/20 0.51
▸ CYP1A2 P05177 1/20 0.51
▸ POLB P06746 1/20 0.51
▸ HSP90AA1 P07900 1/20 0.51
▸ HSP90AB1 P08238 1/20 0.51
▸ HSPA1A P0DMV8 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ MAPT P10636 1/20 0.51
▸ CYP2C9 P11712 1/20 0.51
▸ NR4A1 P22736 1/20 0.51
▸ CYP2C19 P33261 1/20 0.51
▸ PTPN7 P35236 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ SMAD3 P84022 1/20 0.51
▸ KMT2A Q03164 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
SCHEMBL3869088 1.00 CXCR6 (0.61) CXCR6CCR2DRD4KDM4EMEN1
SCHEMBL3870197 0.89 CCR2 (0.69) CCR2MEN1KMT2A
SCHEMBL3869073 0.89 CCR2 (0.69) CCR2MEN1KMT2A
SCHEMBL3869069 0.89 CCR2 (0.69) CCR2MEN1KMT2A
SCHEMBL4668831 0.88 CXCR6 (0.49) CXCR6CCR2KDM4EMEN1ALDH1A1
SCHEMBL4668835 0.88 CXCR6 (0.49) CXCR6CCR2KDM4EMEN1ALDH1A1
SCHEMBL3871412 0.88 CCR2 (0.70) CCR2MEN1KMT2A
SCHEMBL3871406 0.88 CCR2 (0.70) CCR2MEN1KMT2A
SCHEMBL3877544 0.86 CCR2 (0.70) CCR2MEN1KMT2A
SCHEMBL3870661 0.86 CCR2 (0.70) CCR2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 — — EP claimed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 — — US claimed
EP-1891064-B1 N-AMIDE DERIVATIVES OF 8-AZABICYCLO[3.2.1]OCT-3-YL AS CCR1 ANTAGONISTS ALMIRALL SA (ES) 2009-09-02 — — EP disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 — — US disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 — — US disclosed
US-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists LABORATORIOS ALMIRALL, S.A. (ES) 2009-05-21 — — 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-20090130090-A1 N-amide Derivatives of 8-Azabicyclo[3.2.1]OCT-3-YL AS CCR1 Antagonists CCR1, CCR3, CCR8 CXCR6 23/4885CCR2 6/4885DRD4 3495/4885

“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.