Sugi Predict

Sugi Predict / Compounds / SCHEMBL19583148

SCHEMBL19583148

SCHEMBL19583148

CC1(C(=O)O)CCCC(N)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR3 O14843 1/20 0.44
▸ CYP1A2 P05177 3/20 0.34
▸ GRM4 Q14833 6/20 0.33
▸ CYP2C19 P33261 4/20 0.33
▸ TDP1 Q9NUW8 2/20 0.33
▸ GRM8 O00222 2/20 0.33
▸ GRM6 O15303 2/20 0.33
▸ GRM2 Q14416 2/20 0.33
▸ GRM3 Q14832 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ MTOR P42345 2/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ ALOX15 P16050 1/20 0.33
▸ GRM5 P41594 1/20 0.33
▸ GRM1 Q13255 1/20 0.33
▸ PLCB1 Q9NQ66 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
Hydrochloric Acid SCHEMBL14165868 0.98 FFAR3 (0.43) FFAR3CYP1A2GRM4CYP2C19TDP1
Hydrochloric Acid SCHEMBL14165870 0.98 FFAR3 (0.43) FFAR3CYP1A2GRM4CYP2C19TDP1
SCHEMBL27893190 0.88 FFAR3 (0.48) FFAR3CYP1A2GRM4CYP2C19TDP1
SCHEMBL3545761 0.88 FFAR3 (0.48) FFAR3CYP1A2GRM4CYP2C19TDP1
SCHEMBL1965493 0.88 FFAR3 (0.48) FFAR3CYP1A2GRM4CYP2C19TDP1
Hydrochloric Acid SCHEMBL1178166 0.86 FFAR3 (0.46) FFAR3CYP1A2GRM4CYP2C19TDP1
Hydrochloric Acid SCHEMBL1178381 0.86 FFAR3 (0.46) FFAR3CYP1A2GRM4CYP2C19TDP1
Hydrochloric Acid SCHEMBL1178163 0.86 FFAR3 (0.46) FFAR3CYP1A2GRM4CYP2C19TDP1
Hydrochloric Acid SCHEMBL1177624 0.86 FFAR3 (0.46) FFAR3CYP1A2GRM4CYP2C19TDP1
SCHEMBL18629006 0.79 NPSR1 (0.35) MEN1ALDH1A1KMT2AMAPK1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180250282-A1 Novel Methyl-Piperidine Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 LILLY CO ELI (US) 2018-09-06 — — US disclosed
US-9962375-B2 Methyl-piperidine compounds useful for inhibiting microsomal prostaglandin E2 synthase-1 ELI LILLY AND COMPANY (US) 2018-05-08 — — US disclosed
US-20170326128-A1 Novel Methyl-Piperidine Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 ELI LILLY AND COMPANY 2017-11-16 — — US disclosed
CN-101035785-A Novel compounds having an anti-bacterial activity MORPHOCHEM AG KOMB CHEMIE (DE) 2007-09-12 — — CN 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-20170326128-A1 Novel Methyl-Piperidine Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 PTGS1, PTGES, PTGER1 FFAR3 531/4885CYP1A2 44/4885GRM4 1513/4885
US-20180250282-A1 Novel Methyl-Piperidine Compounds Useful for Inhibiting Microsomal Prostaglandin E2 Synthase-1 PTGS1, PTGES, PTGER1 FFAR3 674/4885CYP1A2 48/4885GRM4 1818/4885

“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.