Sugi Predict

Sugi Predict / Compounds / SCHEMBL3607166

SCHEMBL3607166

SCHEMBL3607166

CS(=O)(=O)N1CCC([C@@H](CCN2[C@@H]3CC[C@H]2C[C@H](n2cnc4cnccc42)C3)c2cc(F)cc(F)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CCR5 P51681 8/20 0.43
▸ KCNH2 Q12809 7/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CCL5 P13501 6/20 0.40
▸ CYP2C9 P11712 1/20 0.37
▸ IDO1 P14902 1/20 0.37
▸ CYP11B1 P15538 2/20 0.34
▸ CYP11B2 P19099 2/20 0.34
▸ LMNA P02545 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ MAPK10 P53779 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ DPP4 P27487 1/20 0.33
▸ DPP8 Q6V1X1 1/20 0.33
▸ DPP9 Q86TI2 1/20 0.33
▸ DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL3603950 1.00 CCR5 (0.43) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL3603948 1.00 CCR5 (0.43) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL3598078 0.89 CCR5 (0.51) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL3595732 0.83 CCR5 (0.51) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL3599603 0.77 CCR5 (0.59) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL3591961 0.74 KCNH2 (0.47) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL3591958 0.74 KCNH2 (0.47) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL3601710 0.74 CCR5 (0.41) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL3601707 0.74 CCR5 (0.41) CCR5KCNH2CYP3A4CYP2D6CCL5
SCHEMBL3595607 0.73 CCR5 (0.56) CCR5KCNH2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 — — US disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 — — US disclosed
US-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 ASTRAZENECA AB (SE) 2010-01-14 — — US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 — — US disclosed
US-7615555-B2 Piperidine derivatives as modulators of chemokine receptor CCR5 ASTRAZENECA AB (SE) 2009-11-10 — — US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 — — US disclosed
US-20070167442-A1 Chemical compounds ASTRAZENECA AB (SE) 2007-07-19 — — 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 (2 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-20100010007-A1 PIPERIDINE DERIVATIVES AS MODULATORS OF CHEMOKINE RECEPTOR CCR5 CCR5, CCR2, CXCR3 CCR5 1/4885KCNH2 2940/4885CYP3A4 1516/4885
US-20070167442-A1 Chemical compounds CCR5, CXCR3, CX3CR1 CCR5 1/4885KCNH2 3461/4885CYP3A4 294/4885

“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.