SCHEMBL2990486

SCHEMBL2990486

ClCc1ccc2c(c1)CCCC2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
ALDH1A1 P00352 4/20 0.41
HPGD P15428 3/20 0.41
RXRB P28702 1/20 0.40
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
ADRA2C P18825 1/20 0.39
CETP P11597 1/20 0.39
ALOX15 P16050 1/20 0.39
HSD17B10 Q99714 1/20 0.39
STS P08842 1/20 0.38
LMNA P02545 2/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL1466332 0.98 RXRB (0.42) TSHRALDH1A1HPGDRXRBADRA2A
SCHEMBL17656348 0.98 ALDH1A1 (0.41) TSHRALDH1A1HPGDRXRBADRA2A
SCHEMBL10773358 0.93 ALDH1A1 (0.36) TSHRALDH1A1HPGDRXRBADRA2A
SCHEMBL162032 0.83 HTR2C (0.57) ADRA2AADRA2BADRA2C
SCHEMBL7862501 0.82 NPC1 (0.41) ALDH1A1HPGDRXRBADRA2ALMNA
Bromide SCHEMBL174563 0.81 HTR2C (0.55) ADRA2AADRA2BADRA2C
SCHEMBL9720050 0.80 TSHR (0.46) TSHRALDH1A1HPGDRXRBADRA2A
SCHEMBL9502151 0.78 ALOX15 (0.46) TSHRALDH1A1HPGDRXRBALOX15
SCHEMBL7056267 0.77 DRD1 (0.41) TSHRALDH1A1NPC1RAB9ASMN1; SMN2
SCHEMBL9502785 0.77 MAPK14 (0.46) TSHRALDH1A1HPGDRXRBALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3455224-B1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AG (DE) 2024-03-27 EP disclosed
US-20230250080-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LTD (GB) 2023-08-10 US disclosed
CN-109476658-B Substituted 5,6,7, 8-tetrahydro [1,2,4] triazolo [4,3-a ] pyridin-3 (2H) -ones and 2,5,6, 7-tetrahydro-3H-pyrrolo [2,1-c ] [1,2,4] triazol-3-ones and uses thereof 拜耳公司 2021-08-10 CN disclosed
US-10722501-B2 Substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-A]pyridine-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-C][1,2,4]triazol-3-ones, and use thereof BAYER AKTIENGESELLSCHAFT (DE) 2020-07-28 US disclosed
US-20190160048-A1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2019-05-30 US disclosed
EP-3455224-A1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF Bayer Aktiengesellschaft (DE) 2019-03-20 EP disclosed
CN-109476658-A Substituted 5,6,7,8- tetrahydro [1,2,4] triazol [4,3-A] pyridine -3 (2H) -one and 2,5,6,7- tetrahydro -3H- pyrrolo- [2,1-c] [1,2,4] triazole -3- ketone and application thereof 拜耳公司 2019-03-15 CN disclosed
WO-2017194459-A1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF BAYER AKTIENGESELLSCHAFT (DE) 2017-11-16 WO disclosed
US-8637706-B2 Nuclear receptor binding agents GTX, INC. (US) 2014-01-28 US disclosed
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GTX, INC. 2012-06-21 US disclosed
EP-0018104-B1 TETRAHYDROISOQUINOLINES, THEIR PRODUCTION AND THE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FOR USE IN THE PREVENTION OR TREATMENT OF HYPERTENSION Takeda Chemical Industries, Ltd. (JP) 1983-05-25 EP disclosed
EP-0061013-A1 Process for the preparation of polyisocyanates BAYER AG (DE) 1982-09-29 EP disclosed
EP-0000002-B1 TETRAHYDROFURANE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1981-08-26 EP disclosed
US-4282388-A HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1981-08-04 US disclosed
EP-0002214-B1 BENZYL ETHERS OF CYCLIC 1,2-DIOLS, METHODS FOR THEIR PREPARATION AND THEIR USE AS HERBICIDES BAYER AG (DE) 1981-05-13 EP disclosed
US-4216105-A Compositions for the optical whitening of organic materials and use thereof HICKSON & WELCH LIMITED (GB) 1980-08-05 US disclosed
EP-0003560-A2 Imidazole derivatives and salts thereof, their synthesis, and pharmaceutical formulations THE WELLCOME FOUNDATION LIMITED (GB) 1979-08-22 EP disclosed
EP-0002214-A1 Benzyl ethers of cyclic 1,2-diols, methods for their preparation and their use as herbicides BAYER AG (DE) 1979-06-13 EP disclosed
US-4146384-A Tetrahydrofuran-ether compounds and herbicidal compositions BAYER AKTIENGESELLSCHAFT (DE) 1979-03-27 US disclosed
EP-0000002-A1 Tetrahydrofurane derivatives, processes for their preparation and their use as herbicides BAYER AG (DE) 1978-12-20 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 (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-20230250080-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 TSHR 1726/4885ALDH1A1 1622/4885HPGD 506/4885
US-20190160048-A1 SUBSTITUTED 5,6,7,8-TETRAHYDRO[1,2,4]TRIAZOLO[4,3-A]PYRIDINE-3(2H)-ONES AND 2,5,6,7-TETRAHYDRO-3H-PYRROLO[2,1-C][1,2,4]TRIAZOL-3-ONES, AND USE THEREOF THPO, PTGIS, PYCR1 TSHR 2547/4885ALDH1A1 1097/4885HPGD 220/4885
US-20120157539-A1 NUCLEAR RECEPTOR BINDING AGENTS GPER1, ESRRG, ESR2 TSHR 405/4885ALDH1A1 3644/4885HPGD 1070/4885
US-10722501-B2 Substituted 5,6,7,8-tetrahydro[1,2,4]triazolo[4,3-A]pyridine-3(2H)-ones and 2,5,6,7-tetrahydro-3H-pyrrolo[2,1-C][1,2,4]triazol-3-ones, and use thereof PTGIS, CYP11B2, IL1B TSHR 2514/4885ALDH1A1 604/4885HPGD 156/4885

“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.