SCHEMBL69988

SCHEMBL69988

CC(C)c1cccc2c1OCCN2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 2/20 0.40
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
HSD17B10 Q99714 1/20 0.38
DRD2 P14416 2/20 0.36
HTR1A P08908 1/20 0.36
GABRA1 P14867 3/20 0.35
GABRG2 P18507 2/20 0.35
GABRB3 P28472 2/20 0.35
GABRB2 P47870 2/20 0.35
FAAH O00519 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
LMNA P02545 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
HPGD P15428 1/20 0.35
TSHR P16473 1/20 0.35
GABRB1 P18505 1/20 0.35

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
SCHEMBL19705331 0.90 TAAR1 (0.35) TAAR1DRD2HTR1AGABRA1GABRG2
SCHEMBL71450 0.82 GABRA1 (0.38) TAAR1GABRA1GABRG2GABRB3GABRB2
SCHEMBL17344746 0.78 ALDH1A1 (0.40) ALDH1A1GAAMAPTHSD17B10DRD2
SCHEMBL16746139 0.78 ALDH1A1 (0.37) ALDH1A1GAAMAPTHSD17B10DRD2
SCHEMBL20354332 0.77 GABRA1 (0.42) TAAR1ALDH1A1GAAMAPTHSD17B10
SCHEMBL4898912 0.77 ALDH1A1 (0.44) TAAR1ALDH1A1GAAMAPTHSD17B10
SCHEMBL21893435 0.77 DRD2 (0.39) ALDH1A1GAAMAPTHSD17B10DRD2
SCHEMBL31170723 0.77 ALDH1A1 (0.44) TAAR1ALDH1A1GAAMAPTHSD17B10
SCHEMBL18850250 0.75 ALDH1A1 (0.33) ALDH1A1GAAMAPTHSD17B10
SCHEMBL27051273 0.74 CREBBP (0.38) ALDH1A1MAPTDRD2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE 2023-08-03 US disclosed
US-20230212204-A1 REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C-P BONDS THE SCRIPPS RESEARCH INSTITUTE 2023-07-06 US disclosed
US-20230192671-A1 COMPOUNDS FOR THE TREATMENT OF SARS PURDUE RESEARCH FOUNDATION 2023-06-22 US disclosed
US-11548899-B2 Fused 1,4-oxazepines and related analogs as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2023-01-10 US disclosed
US-11046709-B2 Fused 1,4-diazepines as BET bromodomain inhibitors THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2021-06-29 US disclosed
US-20210188870-A1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS UNIV MICHIGAN REGENTS (US) 2021-06-24 US disclosed
US-20190322694-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS THE SCRIPPS RESEARCH INSTITUTE 2019-10-24 US disclosed
US-20130303529-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-11-14 US disclosed
US-8299066-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-10-30 US disclosed
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY SHIONOGI & CO., LTD. (JP) 2012-05-24 US disclosed
US-8129372-B2 Compounds having NPY Y5 receptor antagonistic activity SHIONOGI & CO., LTD. (JP) 2012-03-06 US disclosed
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY Shinonogi & Co., Ltd (JP) 2011-02-03 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 (10 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-20230242569-A1 PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS PPIP5K2, INPP5B, PTMS TAAR1 4417/4885ALDH1A1 4574/4885GAA 2168/4885
US-11046709-B2 Fused 1,4-diazepines as BET bromodomain inhibitors BRD4, BRD3, BRD1 TAAR1 1166/4885ALDH1A1 2773/4885GAA 2746/4885
US-20210188870-A1 FUSED 1,4-OXAZEPINES AND RELATED ANALOGS AS BET BROMODOMAIN INHIBITORS BRD4, BRD3, BRD2 TAAR1 1259/4885ALDH1A1 2498/4885GAA 2661/4885
US-20130303529-A1 FUSED HETEROCYCLIC DERIVATIVES AND METHODS OF USE HGF, HGFAC, MET TAAR1 4599/4885ALDH1A1 156/4885GAA 79/4885
US-20230192671-A1 COMPOUNDS FOR THE TREATMENT OF SARS ACE2, ACE, SARS1 TAAR1 4461/4885ALDH1A1 3093/4885GAA 731/4885
US-20120130070-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R TAAR1 160/4885ALDH1A1 4801/4885GAA 4463/4885
US-20190322694-A1 NOVEL PHOSPHOROUS (V)-BASED REAGENTS, PROCESSES FOR THE PREPARATION THEREOF, AND THEIR USE IN MAKING STEREO-DEFINED ORGANOPHOSHOROUS (V) COMPOUNDS PPIP5K2, INPP5B, PTMS TAAR1 4383/4885ALDH1A1 4621/4885GAA 2009/4885
US-20230212204-A1 REAGENTS AND THEIR USE FOR MODULAR ENANTIODIVERGENT SYNTHESIS OF C-P BONDS PNKP, POLL, RNGTT TAAR1 3671/4885ALDH1A1 3938/4885GAA 3085/4885
US-11548899-B2 Fused 1,4-oxazepines and related analogs as BET bromodomain inhibitors BRD4, BRD3, BRD2 TAAR1 1259/4885ALDH1A1 2498/4885GAA 2661/4885
US-20110028468-A1 COMPOUNDS HAVING NPY Y5 RECEPTOR ANTAGONISTIC ACTIVITY NPY5R, NPY1R, NPY2R TAAR1 160/4885ALDH1A1 4801/4885GAA 4463/4885

“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.