Sugi Predict

Sugi Predict / Compounds / SCHEMBL2148122

SCHEMBL2148122

SCHEMBL2148122

CC1(O)CCCc2cccnc21

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 2/20 0.42
▸ KDM1A O60341 1/20 0.36
▸ SIGMAR1 Q99720 1/20 0.33
▸ P2RX7 Q99572 4/20 0.33
▸ NR3C1 P04150 2/20 0.33
▸ FNTA P49354 1/20 0.33
▸ FNTB P49356 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ KMT2A Q03164 2/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ PGR P06401 1/20 0.32
▸ TSHR P16473 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ CYP2C19 P33261 1/20 0.31
▸ PDK2 Q15119 1/20 0.31
▸ KDM5A P29375 1/20 0.31
▸ KDM4C Q9H3R0 1/20 0.31
▸ KDM5B Q9UGL1 1/20 0.31

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
SCHEMBL22743930 0.89 OPRL1 (0.46) OPRL1P2RX7FNTAFNTBKCNH2
SCHEMBL30656312 0.89 OPRL1 (0.46) OPRL1P2RX7FNTAFNTBKCNH2
SCHEMBL23364947 0.80 CYP1A2 (0.39) OPRL1KDM1ASIGMAR1NR3C1FNTA
SCHEMBL15894663 0.80 CYP1A2 (0.39) OPRL1KDM1ASIGMAR1NR3C1FNTA
SCHEMBL24125123 0.79 KDM1A (0.36) OPRL1KDM1ASIGMAR1NR3C1F2
SCHEMBL4070387 0.79 KDM1A (0.42) OPRL1KDM1ASIGMAR1NR3C1F2
SCHEMBL22275905 0.79 NR3C1 (0.38) OPRL1KDM1ASIGMAR1NR3C1F2
SCHEMBL20851457 0.79 NR3C1 (0.38) OPRL1KDM1ASIGMAR1NR3C1F2
SCHEMBL26833404 0.79 OPRL1 (0.33) OPRL1KDM1ASIGMAR1NR3C1FNTA
SCHEMBL15469382 0.78 CYP3A4 (0.34) OPRL1SIGMAR1FNTAFNTBKMT2A

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 22 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117720541-A Substituted 1, 2-dihydro-3H-pyrazolo [3,4-d ] pyrimidin-3-ones 里科瑞尔姆IP控股有限责任公司 2024-03-19 — — CN disclosed
US-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase JANSSEN PHARMACEUTICA NV (BE) 2022-02-22 — — US disclosed
US-20210300918-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2021-09-30 — — US disclosed
WO-2020239999-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE JANSSEN PHARMACEUTICA NV (BE) 2020-12-03 — — WO disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 — — US disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 — — US disclosed
US-9227971-B2 Pyrazolo[1,5-a]pyrimidine compounds as mTOR inhibitors MERCK SHARP & DOHME CORP. (US) 2016-01-05 — — US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 — — US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 — — US disclosed
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MERCK SHARP & DOHME LLC 2012-12-20 — — US disclosed
EP-1317445-B1 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC (CA) 2009-03-11 — — EP disclosed
US-7396840-B2 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION (US) 2008-07-08 — — US disclosed
US-7084155-B2 Chemokine receptor binding heterocyclic compounds ANORMED (CA) 2006-08-01 — — US disclosed
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2006-06-15 — — US disclosed
US-6864265-B2 Chemokine receptor binding heterocyclic compounds ANORMED, INC. (CA) 2005-03-08 — — US disclosed
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2004-11-04 — — US disclosed
CN-1457339-A Chemokine receptor binding heterocyclic compounds ANORMED INC (CA) 2003-11-19 — — CN disclosed
EP-1317445-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2003-06-11 — — EP disclosed
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds GENZYME CORPORATION 2003-01-23 — — US disclosed
WO-2002022600-A2 CHEMOKINE RECEPTOR BINDING HETEROCYCLIC COMPOUNDS ANORMED INC. (CA) 2002-03-21 — — 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 (6 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-20210300918-A1 SMALL MOLECULE INHIBITORS OF NF-kB INDUCING KINASE NFKBIA, IKBKB, NFRKB OPRL1 3884/4885KDM1A 1017/4885SIGMAR1 4693/4885
US-20040220207-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 OPRL1 71/4885KDM1A 4851/4885SIGMAR1 295/4885
US-20060128750-A1 Chemokine receptor binding heterocyclic compounds CXCR4, CCR5, CXCR3 OPRL1 59/4885KDM1A 4836/4885SIGMAR1 191/4885
US-20030018046-A1 Chemokine receptor binding heterocyclic compounds CXCR3, ACKR3, CCR2 OPRL1 71/4885KDM1A 4851/4885SIGMAR1 295/4885
US-11254673-B2 Small molecule inhibitors of NF-κB inducing kinase NFKBIA, IKBKB, CHUK OPRL1 3760/4885KDM1A 1045/4885SIGMAR1 4607/4885
US-20120322791-A1 PYRAZOLO[1,5-a]PYRIMIDINE COMPOUNDS AS mTOR INHIBITORS MTOR, RICTOR, RPS6KA5 OPRL1 4285/4885KDM1A 1323/4885SIGMAR1 2307/4885

“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.