SCHEMBL5552

SCHEMBL5552

CCOP(=O)(CC1CCNCC1)OCC

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
PPARD Q03181 1/20 0.36
ANPEP P15144 1/20 0.33
ERAP2 Q6P179 1/20 0.33
TDP1 Q9NUW8 2/20 0.32
TP53 P04637 1/20 0.32
GNAI3 P08754 1/20 0.32
GNAO1 P09471 1/20 0.32
GNAI1 P63096 1/20 0.32
ALOX15 P16050 1/20 0.30

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
Hydrochloric Acid SCHEMBL31019801 0.98 TSHR (0.40) TSHRPPARDANPEPERAP2TDP1
SCHEMBL24510157 0.93 TSHR (0.36) TSHRPPARDANPEPERAP2
SCHEMBL21925055 0.86 TSHR (0.50) TSHRPPARDTDP1TP53
SCHEMBL7453425 0.81 PPARD (0.42) TSHRPPARDANPEPERAP2TDP1
SCHEMBL14548749 0.81 PPARD (0.45) TSHRPPARDTDP1TP53
SCHEMBL31019771 0.80 TDP1 (0.36) TSHRANPEPERAP2TDP1GNAI3
Hydrochloric Acid SCHEMBL29985358 0.78 PPARD (0.39) TSHRPPARDGNAI3GNAO1GNAI1
SCHEMBL15026155 0.77 TSHR (0.41) TSHRPPARDTDP1TP53
SCHEMBL31219193 0.77 TSHR (0.41) TSHRPPARDTDP1TP53
SCHEMBL7449448 0.77 TSHR (0.41) TSHRPPARDTDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024149239-A1 HETEROAROMATIC CYCLIC COMPOUND, AND PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊维康医药有限责任公司 2024-07-18 WO disclosed
US-20240199661-A1 BICYCLIC HETEROARYL PHOSPHONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC 2024-06-20 US disclosed
WO-2022212488-A1 BICYCLIC HETEROARYL PHOSPHONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS RIBOSCIENCE LLC (US) 2022-10-06 WO disclosed
US-11111259-B2 Acylsulfonamide derivatives for treating senescence-associated diseases and disorders UNITY BIOTECHNOLOGY, INC. (US) 2021-09-07 US disclosed
US-20200291050-A1 ACYLSULFONAMIDE DERIVATIVES FOR TREATING SENESCENCE-ASSOCIATED DISEASES AND DISORDERS UNITY BIOTECHNOLOGY, INC. 2020-09-17 US disclosed
WO-2017101851-A1 ACYLSULFONAMIDE DERIVATIVES FOR TREATING SENESCENCE-ASSOCIATED DISEASES AND DISORDERS UNITY BIOTECHNOLOGY, INC. (US) 2017-06-22 WO disclosed
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-07 US disclosed
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-07 US disclosed
US-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2013-03-07 US disclosed
EP-1174431-B1 2-Phenyl-substituited Imidazotriazinones as Phoshodiesterase Inhibitors Bayer Pharma AG (DE) 2012-05-30 EP disclosed
US-6566360-B1 Administering 2-phenyl-substituted imidazotriazinones having short, unbranched alkyl radicals in the 9-position for therapy of hypertrophy of the prostate, incontinence or female sexual dysfunction in mammals BAYER AKTIENGESELLSCHAFT (DE) 2003-05-20 US disclosed
US-6362178-B1 TREATMENT OF CARDIOVASCULAR DIORDERS, CEREBROVASCULAR DISORDERS, UROGENITAL DISORDERS AND ERECTILE DYSFUNCTION BAYER AKTIENGESELLSCHAFT (DE) 2002-03-26 US disclosed
EP-1049695-B1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER AG (DE) 2002-02-13 EP disclosed
EP-1174431-A2 2-Phenyl-substituited Imidazotriazinones as Phoshodiesterase Inhibitors Bayer Aktiengesellschaft (DE) 2002-01-23 EP disclosed
WO-2001087888-A1 PYRAZOLOPYRIMIDINONE DERIVATIVES, PROCESS FOR THEIR PREPARATION AND THEIR USE SK CHEMICALS CO., LTD. (KR) 2001-11-22 WO disclosed
CN-1278822-A 2-phenyl substituted imidazotriazinones as phosphodiesterase inhibitors BAYER AG (DE) 2001-01-03 CN disclosed
EP-1049695-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER AG (DE) 2000-11-08 EP disclosed
WO-1999024433-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS BAYER AKTIENGESELLSCHAFT (DE) 1999-05-20 WO disclosed
EP-0815103-A1 TRYPSIN AND THROMBIN INHIBITORS Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996029327-A1 TRYPSIN AND THROMBIN INHIBITORS NOVARTIS AG (CH) 1996-09-26 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-20130059844-A1 2-PHENYL SUBSTITUTED IMIDAZOTRIAZINONES AS PHOSPHODIESTERASE INHIBITORS PDE3B, PDE3A, PDE2A TSHR 3349/4885PPARD 1367/4885ANPEP 522/4885
US-11111259-B2 Acylsulfonamide derivatives for treating senescence-associated diseases and disorders ACAT1, ARSA, GLA TSHR 3145/4885PPARD 397/4885ANPEP 1796/4885
US-20200291050-A1 ACYLSULFONAMIDE DERIVATIVES FOR TREATING SENESCENCE-ASSOCIATED DISEASES AND DISORDERS ACAT1, ARSA, GLA TSHR 3145/4885PPARD 397/4885ANPEP 1796/4885
US-20240199661-A1 BICYCLIC HETEROARYL PHOSPHONATE DERIVATIVES AS ECTONUCLEOTIDE PYROPHOSPHATASE PHOSPHODIESTERASE 1 INHIBITORS ENPP1, ENPP3, PDE7A TSHR 2855/4885PPARD 1515/4885ANPEP 714/4885

“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.