Sugi Predict

Sugi Predict / Compounds / SCHEMBL4243870

SCHEMBL4243870

SCHEMBL4243870

Cc1ccc(C)n1-c1ccc([C@@H](O)CN[C@H](CO)COCc2ccccc2)cn1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR1 P21554 1/20 0.34
▸ BACE1 P56817 1/20 0.34
▸ ADRB3 P13945 5/20 0.33
▸ RGS12 O14924 1/20 0.33
▸ APOBEC3A P31941 1/20 0.33
▸ APOBEC3G Q9HC16 1/20 0.33
▸ ADRB2 P07550 6/20 0.33
▸ CA1 P00915 3/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ AGER Q15109 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ CA7 P43166 1/20 0.33
▸ CA9 Q16790 1/20 0.33
▸ ADRB1 P08588 2/20 0.32
▸ EGLN1 Q9GZT9 2/20 0.32
▸ TACR1 P25103 1/20 0.32

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
SCHEMBL5178621 1.00 CNR1 (0.34) CNR1BACE1ADRB3RGS12APOBEC3A
SCHEMBL4243873 1.00 CNR1 (0.34) CNR1BACE1ADRB3RGS12APOBEC3A
SCHEMBL4239581 0.81 KDM4E (0.36) CNR1ADRB3ADRB2CYP1A2CYP3A4
SCHEMBL4239577 0.81 KDM4E (0.36) CNR1ADRB3ADRB2CYP1A2CYP3A4
SCHEMBL4245083 0.77 MAOB (0.37) CNR1BACE1RGS12APOBEC3AAPOBEC3G
SCHEMBL4245080 0.77 MAOB (0.37) CNR1BACE1RGS12APOBEC3AAPOBEC3G
SCHEMBL4245055 0.77 FFAR1 (0.33) RGS12APOBEC3AAPOBEC3GCA1CYP1A2
SCHEMBL4245059 0.77 FFAR1 (0.33) RGS12APOBEC3AAPOBEC3GCA1CYP1A2
SCHEMBL4542365 0.77 LMNA (0.45) ADRB3ADRB2CYP1A2CYP2D6
SCHEMBL4542370 0.77 LMNA (0.45) ADRB3ADRB2CYP1A2CYP2D6

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
US-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals PFIZER, INC. (US) 2009-01-01 — — US disclosed
US-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals PFIZER, INC. (US) 2009-01-01 — — US disclosed
US-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals PFIZER, INC. (US) 2009-01-01 — — US disclosed
EP-1758862-A1 AMINOPYRIDINE DERIVATIVES AS SELECTIVE DOPAMINE D3 AGONISTS Pfizer Limited (GB) 2007-03-07 — — EP disclosed
US-20050288270-A1 New aminopyridine derivatives and their use as pharmaceuticals PFIZER INC 2005-12-29 — — US disclosed
WO-2005115985-A1 AMINOPYRIDINE DERIVATIVES AS SELECTIVE DOPAMINE D3 AGONISTS PFIZER LIMITED (GB) 2005-12-08 — — 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 (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-20050288270-A1 New aminopyridine derivatives and their use as pharmaceuticals DRD2, DRD1, DRD3 CNR1 448/4885BACE1 3432/4885ADRB3 14/4885
US-20090005354-A1 New Amino Derivatives and Their Use as Pharmaceuticals DRD2, DRD1, DRD3 CNR1 485/4885BACE1 2801/4885ADRB3 23/4885

“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.