Sugi Predict

Sugi Predict / Compounds / SCHEMBL1105755

SCHEMBL1105755

SCHEMBL1105755

CCOC(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PKM P14618 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ TACR1 P25103 3/20 0.51
▸ USP7 Q93009 4/20 0.50
▸ RORC P51449 1/20 0.50
▸ GPR119 Q8TDV5 2/20 0.47
▸ JAK2 O60674 1/20 0.46
▸ JAK1 P23458 1/20 0.46
▸ KDM4E B2RXH2 1/20 0.46
▸ BRD4 O60885 1/20 0.46
▸ USP30 Q70CQ3 1/20 0.45

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
SCHEMBL3004868 1.00 PKM (0.51) PKMMAPTTACR1USP7RORC
SCHEMBL1105921 1.00 PKM (0.51) PKMMAPTTACR1USP7RORC
SCHEMBL3010603 1.00 PKM (0.51) PKMMAPTTACR1USP7RORC
SCHEMBL4004318 1.00 PKM (0.51) PKMMAPTTACR1USP7RORC
SCHEMBL7904145 1.00 PKM (0.51) PKMMAPTTACR1USP7RORC
SCHEMBL4790687 0.91 TACR1 (0.58) PKMMAPTTACR1USP7RORC
SCHEMBL12647197 0.91 TACR1 (0.58) PKMMAPTTACR1USP7RORC
SCHEMBL2240106 0.91 TACR1 (0.58) PKMMAPTTACR1USP7RORC
SCHEMBL5821047 0.90 TACR1 (0.56) PKMMAPTTACR1RORC
SCHEMBL4756256 0.89 GPR119 (0.50) MAPTTACR1USP7GPR119

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391615-B1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS HOFFMANN LA ROCHE (CH) 2013-01-16 — — EP disclosed
US-8324248-B2 Piperidine derivatives as NK3 receptor antagonists HOFFMANN-LA ROCHE INC. (US) 2012-12-04 — — US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 — — US disclosed
US-8153658-B2 Piperidine derivative or salt thereof ASTELLAS PHARMA, INC. (JP) 2012-04-10 — — US disclosed
US-20100197697-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2010-08-05 — — US disclosed
US-20100035865-A1 Sulfonamides and Pharmaceutical Compositions Thereof PFIZER INC 2010-02-11 — — US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 — — US disclosed
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF ASTELLAS PHARMA INC. (JP) 2010-02-04 — — 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 (3 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-20100035865-A1 Sulfonamides and Pharmaceutical Compositions Thereof STS, SULT2A1, SULT1A1 PKM 1812/4885MAPT 3002/4885TACR1 1028/4885
US-20100197697-A1 PIPERIDINE DERIVATIVES AS NK3 RECEPTOR ANTAGONISTS OPRK1, OPRM1, OPRL1 PKM 584/4885MAPT 292/4885TACR1 13/4885
US-20100029687-A1 PIPERIDINE DERIVATIVE OR SALT THEREOF CASR, CYP2R1, HCAR1 PKM 3074/4885MAPT 4561/4885TACR1 99/4885

“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.