SCHEMBL433540

SCHEMBL433540

Clc1ccc(C2CC2)c(Cl)c1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.52
TSHR P16473 1/20 0.52
AGTR1 P30556 1/20 0.52
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
TP53 P04637 1/20 0.46
TAAR1 Q96RJ0 1/20 0.45
CHRNB2 P17787 1/20 0.44
CHRNA4 P43681 1/20 0.44
USP2 O75604 1/20 0.42
MAPT P10636 1/20 0.42

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
SCHEMBL432356 0.91 GAA (0.53) GAATSHRAGTR1HTR2AHTR2C
SCHEMBL432639 0.91 GAA (0.58) GAATSHRAGTR1HTR2AHTR2C
Bicarbonate SCHEMBL17644450 0.90 TSHR (0.49) GAATSHRAGTR1TP53
SCHEMBL434608 0.89 GAA (0.56) GAATSHRAGTR1HTR2AHTR2C
SCHEMBL3385674 0.86 SLC6A2 (0.52) GAATSHRAGTR1HTR2CCHRNB2
Hydrochloric Acid SCHEMBL4886168 0.84 SLC6A2 (0.51) GAATSHRAGTR1HTR2AHTR2C
SCHEMBL3781719 0.83 CHRNB2 (0.61) GAATSHRAGTR1HTR2CTAAR1
SCHEMBL4969638 0.82 OPRL1 (0.47) GAATSHRAGTR1
SCHEMBL10699941 0.82 GAA (0.42) GAATSHRAGTR1HTR2AHTR2C
SCHEMBL9911450 0.81 TP53 (0.46) GAATSHRAGTR1TP53TAAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200331904-A1 3-AMINO-[1,2,4]-TRIAZOLE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-22 US claimed
EP-3720853-A1 3-AMINO-[1,2,4]-TRIAZOLE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH Bayer CropScience Aktiengesellschaft (DE) 2020-10-14 EP claimed
WO-2019110398-A1 3-AMINO-[1,2,4]-TRIAZOLE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2019-06-13 WO claimed
US-20110166132-A1 Gamma Secretase Modulators AMGEN INC. (US) 2011-07-07 US claimed
EP-2231602-A1 GAMMA SECRETASE MODULATORS Amgen, Inc (US) 2010-09-29 EP claimed
WO-2009075874-A1 GAMMA SECRETASE MODULATORS AMGEN INC. (US) 2009-06-18 WO claimed
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors VITAE PHARMACEUTICALS, INC. 2008-11-27 US claimed
EP-1844002-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS Vitae Pharmaceuticals, Inc. (US) 2007-10-17 EP claimed
WO-2006083924-A1 1-ACYLAMINO-2-HYDROXY-3-AMINO-W-ARYLALKANES AS RENIN INHIBITORS VITAE PHARMACEUTICALS, INC. (US) 2006-08-10 WO claimed
US-5051447-A Applying aromatic oximes to plants, seeds or soils BASF AKTIENGESELLSCHAFT (DE) 1991-09-24 US claimed
EP-0354571-A1 Oximethers, method for their preparation and fungicides containing them BASF Aktiengesellschaft (DE) 1990-02-14 EP claimed
WO-2024132895-A1 MICROBIOCIDAL DIHYDROOXADIAZINYL PYRIDAZINONE COMPOUNDS SYNGENTA CROP PROTECTION AG (CH) 2024-06-27 WO disclosed
WO-2024132901-A1 MICROBIOCIDAL PYRIDAZINE DIHYDROOXADIAZINE DERIVATIVES SYNGENTA CROP PROTECTION AG (CH) 2024-06-27 WO disclosed
US-20200331904-A1 3-AMINO-[1,2,4]-TRIAZOLE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH BAYER CROPSCIENCE AKTIENGESELLSCHAFT (DE) 2020-10-22 US disclosed
EP-3720853-A1 3-AMINO-[1,2,4]-TRIAZOLE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH Bayer CropScience Aktiengesellschaft (DE) 2020-10-14 EP disclosed
US-4997973-A Ortho-substituted benzyl carboxylates and fungicides containing these compounds BASF AKTIENGESELLSCHAFT (DE) 1991-03-05 US disclosed
US-4952720-A Ortho-substituted benzyl carboxylates and fungicides which contain these compounds BASF AKTIENGSELLSCHAFT (DE) 1990-08-28 US disclosed
EP-0337211-B1 ORTHO-SUBSTITUTED CARBOXYLIC-ACID BENZYL ESTERS AND FUNGICIDES CONTAINING THEM BASF Aktiengesellschaft (DE) 1990-07-11 EP disclosed
EP-0354571-A1 Oximethers, method for their preparation and fungicides containing them BASF Aktiengesellschaft (DE) 1990-02-14 EP disclosed
EP-0337211-A1 Ortho-substituted carboxylic-acid benzyl esters and fungicides containing them BASF Aktiengesellschaft (DE) 1989-10-18 EP 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-20200331904-A1 3-AMINO-[1,2,4]-TRIAZOLE DERIVATIVES AND THEIR USE FOR CONTROLLING UNDESIRED PLANT GROWTH NAT1, AGXT, CYP4Z1 GAA 1187/4885TSHR 851/4885AGTR1 1290/4885
US-20110166132-A1 Gamma Secretase Modulators BACE1, BACE2, PSEN1 GAA 11/4885TSHR 4425/4885AGTR1 2062/4885
US-20080293701-A1 1-Acylamino-2-Hydroxy-3-Amino- -Arylalkanes as Renin Inhibitors REN, AGTR1, AGTR2 GAA 395/4885TSHR 3602/4885AGTR1 2/4885

“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.