Sugi Predict

Sugi Predict / Compounds / SCHEMBL22697

SCHEMBL22697

SCHEMBL22697

[c]1cccc(OC2CCCC2)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH1 P35367 1/20 0.40
▸ PARP10 Q53GL7 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ SLC6A4 P31645 3/20 0.34
▸ SLC6A2 P23975 3/20 0.34
▸ SLC6A3 Q01959 3/20 0.34
▸ HRH3 Q9Y5N1 2/20 0.34
▸ CHRNB2 P17787 1/20 0.34
▸ CHRNA4 P43681 1/20 0.34
▸ PDK2 Q15119 2/20 0.33
▸ VCP P55072 2/20 0.33
▸ KAT6A Q92794 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ F2 P00734 1/20 0.32
▸ PLG P00747 1/20 0.32
▸ PLAU P00749 1/20 0.32
▸ PLAT P00750 1/20 0.32
▸ KLKB1 P03952 1/20 0.32
▸ PRSS1 P07477 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
SCHEMBL2921788 0.98 HRH1 (0.39) HRH1PARP10ALDH1A1TSHRSLC6A4
SCHEMBL22141 0.98 HRH1 (0.39) HRH1PARP10ALDH1A1TSHRSLC6A4
SCHEMBL676540 0.98 HRH1 (0.39) HRH1PARP10ALDH1A1TSHRSLC6A4
SCHEMBL231149 0.96 HRH1 (0.40) HRH1PARP10ALDH1A1TSHRSLC6A4
SCHEMBL514610 0.92 HRH1 (0.42) HRH1SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL6531068 0.90 HRH1 (0.34) HRH1PARP10ALDH1A1TSHRHRH3
SCHEMBL4361213 0.88 HRH1 (0.35) HRH1PARP10SLC6A4SLC6A2SLC6A3
SCHEMBL4355364 0.84 SLC6A2 (0.34) HRH1PARP10SLC6A4SLC6A2SLC6A3
SCHEMBL62138 0.84 HRH1 (0.62) HRH1SLC6A4SLC6A2SLC6A3HRH3
SCHEMBL16987030 0.84 KAT2B (0.37) HRH1SLC6A4SLC6A2SLC6A3HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104470926-A Substituted pyrrolopyrimidines Bayer Pharma AG 2015-03-25 — — CN claimed
CN-101326168-A Prokineticin 1 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2008-12-17 — — CN claimed
CN-101223147-A Pyrimidindione derivatives as prokineticin 2 receptor antagonists JANSSEN PHARMACEUTICA NV (BE) 2008-07-16 — — CN claimed
CN-1250531-C Novel compounds ASTRAZENECA AB (SE) 2006-04-12 — — CN claimed
US-6284796-B1 NAPHTHAMIDINE COMPOUNDS ABBOTT LABORATORIES 2001-09-04 — — US claimed
US-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. (JP) 2023-11-02 — — US disclosed
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS RAQUALIA PHARMA INC. (JP) 2023-10-26 — — US disclosed
CN-115427409-A Pyrimidin-4 (3H) -one derivatives as TRPV4 antagonists 拉夸里亚创药株式会社 2022-12-02 — — CN disclosed
US-20220363664-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 PRAGMA THERAPEUTICS (FR) 2022-11-17 — — US disclosed
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC (JP) 2020-10-08 — — US disclosed
US-20200231563-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 PRAGMA THERAPEUTICS (FR) 2020-07-23 — — US disclosed
EP-3672950-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 Pragma Therapeutics (FR) 2020-07-01 — — EP disclosed
US-6476025-B1 Phenylphennanthridines with PDE-IV inhibiting activity ALTANA PHARMA AG (DE) 2002-11-05 — — US disclosed
CN-1336919-A Phenylphenanthridines with PDE-IV inhibiting activity BYK GULDEN LOMBERG CHEM FAB (DE) 2002-02-20 — — CN disclosed
US-20020012866-A1 Positive photoresist composition FUJIFILM CORPORATION (JP) 2002-01-31 — — US disclosed
EP-1147089-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 2001-10-24 — — EP disclosed
US-6207343-B1 RESIN CONTAINING GROUPS WHICH DECOMPOSE BY THE ACTION OF AN ACID TO ENHANCE ITS SOLUBILITY IN AN ALKALINE DEVELOPING SOLUTION AND A COMPOUND WHICH GENERATES AN ACID UPON IRRADIATION WITH ACTINIC RAYS OR RADIATION FUJI PHOTO FILM CO., LTD. (JP) 2001-03-27 — — US disclosed
WO-2000042020-A1 PHENYLPHENANTHRIDINES WITH PDE-IV INHIBITING ACTIVITY BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 2000-07-20 — — WO disclosed
CN-1048015-C Bicyclic Tetrahydropyrazolopyridines PFIZER (US) 2000-01-05 — — CN disclosed
CN-1129940-A Bicyclic tetrahydro pyrazolopyridines PFIZER (US) 1996-08-28 — — 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 (5 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-20230348438-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 HRH1 2450/4885PARP10 2849/4885ALDH1A1 1200/4885
US-20200231563-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 GRM7, GRM1, GRM3 HRH1 412/4885PARP10 4101/4885ALDH1A1 3446/4885
US-20220363664-A1 HETEROCYCLIC COMPOUNDS AS MODULATORS OF MGLUR7 GRM7, GRM1, GRM2 HRH1 415/4885PARP10 4368/4885ALDH1A1 3228/4885
US-20230339934-A1 PYRIMIDIN-4(3H)-ONE DERIVATIVES AS TRPV4 ANTAGONISTS TRPV4, TRPV1, TRPV2 HRH1 459/4885PARP10 1493/4885ALDH1A1 1663/4885
US-20200317644-A1 PYRAZOLE COMPOUND AND PHARMACEUTICAL USE THEREOF CYP2C19, CYP3A7, CYP3A5 HRH1 2450/4885PARP10 2849/4885ALDH1A1 1200/4885

“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.