SCHEMBL807336

SCHEMBL807336

c1ccc2c(CN3CCCCC3)cccc2c1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.66
TSHR P16473 1/20 0.63
ALDH1A1 P00352 3/20 0.58
CRHBP P24387 2/20 0.57
CRHR2 Q13324 2/20 0.57
DRD2 P14416 1/20 0.56
DRD4 P21917 1/20 0.56
DRD3 P35462 1/20 0.56
OPRL1 P41146 1/20 0.55
KDM4E B2RXH2 4/20 0.54
POLB P06746 1/20 0.54
MAPT P10636 2/20 0.54
LMNA P02545 1/20 0.54
HTT P42858 1/20 0.54
MAPK1 P28482 1/20 0.54
CHRNA7 P36544 1/20 0.54
GAA P10253 1/20 0.54
FAAH O00519 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.53
JAK2 O60674 1/20 0.53

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
SCHEMBL31010166 1.00 ACHE (0.66) ACHETSHRALDH1A1CRHBPCRHR2
Hydrochloric Acid SCHEMBL16825180 0.98 ACHE (0.64) ACHETSHRALDH1A1CRHBPCRHR2
SCHEMBL3921135 0.98 ACHE (0.68) ACHETSHRALDH1A1CRHBPCRHR2
SCHEMBL31392633 0.94 ACHE (0.68) ACHETSHRALDH1A1DRD2DRD4
SCHEMBL11887347 0.93 ACHE (0.66) ACHETSHRALDH1A1DRD2DRD4
SCHEMBL4822463 0.85 CHRNA7 (0.52) ACHETSHRALDH1A1CRHBPCRHR2
SCHEMBL16689990 0.82 ACHE (0.62) ACHETSHRALDH1A1DRD2DRD4
SCHEMBL12123080 0.82 ACHE (0.67) ACHEALDH1A1DRD2DRD4DRD3
SCHEMBL28594189 0.82 ACHE (0.62) ACHETSHRALDH1A1DRD2DRD4
SCHEMBL29567963 0.82 ACHE (0.62) ACHETSHRALDH1A1DRD2DRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105143222-B Glycosidase inhibitor 默克专利有限公司 2018-02-02 CN disclosed
EP-2615916-B1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS MERCK SHARP & DOHME (US) 2017-01-04 EP disclosed
EP-3083584-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS Sunshine Lake Pharma Co., Ltd. (CN) 2016-10-26 EP disclosed
WO-2015090232-A1 NITROGENOUS HETEROCYCLIC DERIVATIVES AND THEIR APPLICATION IN DRUGS SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-06-25 WO disclosed
WO-2012036997-A1 FUSED PYRAZOLE DERIVATIVES AS NOVEL ERK INHIBITORS SCHERING CORPORATION (US) 2012-03-22 WO disclosed
EP-0999220-B1 Low molecular weight peptidomimetic growth hormone secretagogues GENENTECH INC (US) 2007-05-02 EP disclosed
US-7094869-B2 Low molecular weight peptidomimetic growth hormone secretagogues GENENTECH, INC. (US) 2006-08-22 US disclosed
US-20060063807-A1 Low molecular weight peptidomimetic growth hormone secretagogues GENENTECH, INC. (US) 2006-03-23 US disclosed
US-20030139348-A1 Low molecular weight peptidomimetic growth hormone secretagogues GENENTECH, INC. 2003-07-24 US disclosed
US-20020111461-A1 LOW MOLECULAR WEIGHT PEPTIDOMIMETIC GROWTH HORMONE SECRETAGOGUES SOMERS TODD C (US) 2002-08-15 US disclosed
EP-0792289-B1 LOW MOLECULAR WEIGHT PEPTIDOMIMETIC GROWTH HORMONE SECRETAGOGUES GENENTECH INC (US) 2000-07-12 EP disclosed
EP-0999220-A2 Low molecular weight peptidomimetic growth hormone secretagogues Genentech, Inc. (US) 2000-05-10 EP disclosed
US-6034216-A Low molecular weight peptidomimetic growth hormone secretagogues GENENTECH INC. (US) 2000-03-07 US disclosed
US-5798337-A USED TO PROMOTE GROWTH IN MAMMALS EITHER ALONE OR IN COMBINATION WITH OTHER GROWTH PROMOTING COMPOUNDS GENENTECH, INC. (US) 1998-08-25 US disclosed
EP-0792289-A1 LOW MOLECULAR WEIGHT PEPTIDOMIMETIC GROWTH HORMONE SECRETAGOGUES GENENTECH, INC. (US) 1997-09-03 EP disclosed
WO-1996015148-A2 LOW MOLECULAR WEIGHT PEPTIDOMIMETIC GROWTH HORMONE SECRETAGOGUES GENENTECH, INC. (US) 1996-05-23 WO disclosed
US-4246268-A ANTIPSYCHOTICS, TRANQUILIZERS, NEUROLEPTICS COMPOUNDS AND NOVEL INTERMEDIATES RICHARDSON-MERRELL INC. (US) 1981-01-20 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-20030139348-A1 Low molecular weight peptidomimetic growth hormone secretagogues GHSR, GHRHR, IGFBP1 ACHE 4795/4885TSHR 99/4885ALDH1A1 4585/4885
US-20020111461-A1 LOW MOLECULAR WEIGHT PEPTIDOMIMETIC GROWTH HORMONE SECRETAGOGUES GHSR, GHRHR, IGFBP1 ACHE 4795/4885TSHR 99/4885ALDH1A1 4585/4885
US-20060063807-A1 Low molecular weight peptidomimetic growth hormone secretagogues GHSR, GHRHR, IGFBP1 ACHE 4779/4885TSHR 99/4885ALDH1A1 4643/4885

“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.