SCHEMBL4397375

SCHEMBL4397375

[CH2]N(CC=C)Cc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.44
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
PYCR1 P32322 1/20 0.40
AOC3 Q16853 1/20 0.40
GRIN2D O15399 1/20 0.39
GRIN3B O60391 1/20 0.39
GRIN1 Q05586 1/20 0.39
GRIN2A Q12879 1/20 0.39
GRIN2B Q13224 1/20 0.39
GRIN2C Q14957 1/20 0.39
GRIN3A Q8TCU5 1/20 0.39
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
CA12 O43570 2/20 0.38
CA9 Q16790 2/20 0.38
G6PC1 P35575 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
BCHE P06276 1/20 0.38

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
SCHEMBL1776018 0.81 TSHR (0.55) ALDH1A1TSHRPYCR1AOC3NPC1
SCHEMBL516674 0.80 BCHE (0.49) GAAALDH1A1TSHRPYCR1AOC3
SCHEMBL2688603 0.80 BCHE (0.49) GAAALDH1A1TSHRPYCR1AOC3
SCHEMBL4446654 0.78 GAA (0.44) GAAALDH1A1TSHRPYCR1AOC3
Hydrochloric Acid SCHEMBL10548138 0.78 BCHE (0.48) GAAALDH1A1TSHRPYCR1GRIN2D
SCHEMBL11813538 0.78 GAA (0.44) GAAALDH1A1TSHRPYCR1AOC3
Hydrochloric Acid SCHEMBL3752186 0.78 BCHE (0.48) GAAALDH1A1TSHRPYCR1AOC3
SCHEMBL859510 0.77 GAA (0.43) GAAALDH1A1TSHRPYCR1AOC3
SCHEMBL4631652 0.77 GAA (0.43) GAAALDH1A1TSHRPYCR1AOC3
SCHEMBL4960734 0.77 GAA (0.43) GAAALDH1A1TSHRPYCR1AOC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6962919-B2 Nitrogen-containing heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL CO., LTD. (JP) 2005-11-08 US claimed
EP-1042325-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2005-09-21 EP claimed
US-20020103210-A1 Nitrogen-containing heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2002-08-01 US claimed
US-6413972-B1 5,8-DIHYDRO-3-METHYL-5-OXO-8-(1-OXO-1-PHENYL-2-PROPYL)-2 -PHENYLIMIDAZO(1,2-A)PYRIMIDINE-6-CARBOXYLIC ACID ETHYL ESTER; GONADOTROPIN-RELEASING HORMONE ANTAGONIZING ACTIVITY; LOW TOXICITY; ANTICARCINOGENIC AGENT; CONTRACEPTIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US claimed
EP-1042325-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-10-11 EP claimed
WO-1999033831-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-08 WO claimed
US-20090048273-A1 PREMATURE OVULATION PREVENTIVE AGENT TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-02-19 US disclosed
EP-1917978-A1 PREMATURE OVULATION PREVENTIVE AGENT Takeda Pharmaceutical Company Limited (JP) 2008-05-07 EP disclosed
US-20050250793-A1 Preventives/remedies for hot flash TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2005-11-10 US disclosed
US-6962919-B2 Nitrogen-containing heterocyclic compounds, their production and use TAKEDA PHARMACEUTICAL CO., LTD. (JP) 2005-11-08 US disclosed
EP-1042325-B1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA PHARMACEUTICAL (JP) 2005-09-21 EP disclosed
EP-1495768-A1 PREVENTIVES/REMEDIES FOR HOTFLASH Takeda Pharmaceutical Company Limited (JP) 2005-01-12 EP disclosed
US-20040116522-A1 Medicinal solutions TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2004-06-17 US disclosed
EP-1374855-A1 MEDICINAL SOLUTIONS Takeda Chemical Industries, Ltd. (JP) 2004-01-02 EP disclosed
US-20030134863-A1 Preventives/remedies for alzheimer's disease TAKEDA CHEMICAL INDUSTRIES LTD. (JP) 2003-07-17 US disclosed
US-20020103210-A1 Nitrogen-containing heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. 2002-08-01 US disclosed
US-6413972-B1 5,8-DIHYDRO-3-METHYL-5-OXO-8-(1-OXO-1-PHENYL-2-PROPYL)-2 -PHENYLIMIDAZO(1,2-A)PYRIMIDINE-6-CARBOXYLIC ACID ETHYL ESTER; GONADOTROPIN-RELEASING HORMONE ANTAGONIZING ACTIVITY; LOW TOXICITY; ANTICARCINOGENIC AGENT; CONTRACEPTIVE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2002-07-02 US disclosed
US-6194419-B1 THERAPY FOR SEXUAL DISORDERS; A 5-OXOIMIDAZOLO(1,2-A)PYRIMIDINE-6-CARBOXYLIC ESTER TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-02-27 US disclosed
EP-1042325-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 2000-10-11 EP disclosed
WO-1999033831-A1 NITROGEN-CONTAINING HETEROCYCLIC COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-07-08 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 (4 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-20030134863-A1 Preventives/remedies for alzheimer's disease ACHE, GNRHR, PSEN1 GAA 244/4885ALDH1A1 2627/4885TSHR 2658/4885
US-20020103210-A1 Nitrogen-containing heterocyclic compounds, their production and use GNRHR, NR5A1, SHBG GAA 4490/4885ALDH1A1 3645/4885TSHR 350/4885
US-20050250793-A1 Preventives/remedies for hot flash GNRHR, SHBG, FSHR GAA 2084/4885ALDH1A1 3063/4885TSHR 211/4885
US-20090048273-A1 PREMATURE OVULATION PREVENTIVE AGENT GNRHR, FSHR, LHCGR GAA 3954/4885ALDH1A1 4291/4885TSHR 823/4885

“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.