SCHEMBL2776358

SCHEMBL2776358

O=C(OCCC1CCNCC1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.53
LMNA P02545 1/20 0.50
MAPK1 P28482 1/20 0.47
HIF1A Q16665 1/20 0.47
ITGB3 P05106 8/20 0.46
ITGA2B P08514 8/20 0.46
KMT2A Q03164 2/20 0.44
GBA1 P04062 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
MEN1 O00255 1/20 0.43
ATM Q13315 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
SCN1A P35498 1/20 0.43
SCN2A Q99250 1/20 0.43
SCN3A Q9NY46 1/20 0.43

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 SCHEMBL27944480 0.98 TDP1 (0.51) TDP1LMNAMAPK1HIF1AITGB3
SCHEMBL27725512 0.91 TDP1 (0.58) TDP1LMNAMAPK1HIF1AITGB3
SCHEMBL27893702 0.91 KMT2A (0.53) TDP1LMNAMAPK1HIF1AKMT2A
SCHEMBL14402754 0.89 TDP1 (0.61) TDP1LMNAMAPK1HIF1AKMT2A
SCHEMBL18759619 0.89 TDP1 (0.61) TDP1LMNAMAPK1HIF1AKMT2A
SCHEMBL8430060 0.89 TDP1 (0.59) TDP1LMNAITGB3ITGA2BSCN1A
SCHEMBL28001475 0.85 HTR7 (0.45) KMT2AMEN1CHRM2CHRM1CHRM3
SCHEMBL27937189 0.85 CHRNB2 (0.44) LMNAITGB3ITGA2BKMT2ACHRM2
SCHEMBL27895732 0.85 LMNA (0.50) LMNAITGB3ITGA2BSLC6A3CHRM2
SCHEMBL27855837 0.85 ITGB3 (0.44) ITGB3ITGA2BKMT2AGBA1CHRM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4696376-A2 NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF Topadur Pharma AG (CH) 2026-02-18 EP disclosed
EP-3630769-B1 NOVEL DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2025-07-02 EP disclosed
US-20240360136-A1 DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2024-10-31 US disclosed
US-11905293-B2 Dual mode of action soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof TOPADUR PHARMA AG (CH) 2024-02-20 US disclosed
US-11897890-B2 2-phenyl-3,4-dihydropyrrolo[2,1 -f] [1,2,4]triazinone derivatives as phosphodiesterase inhibitors and uses thereof TOPADUR PHARMA AG (CH) 2024-02-13 US disclosed
US-20220169655-A1 2-PHENYL-3,4-DIHYDROPYRROLO[2,1 -F] [1,2,4]TRIAZINONE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2022-06-02 US disclosed
US-20220169655-A1 2-PHENYL-3,4-DIHYDROPYRROLO[2,1 -F] [1,2,4]TRIAZINONE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2022-06-02 US disclosed
US-20220073529-A1 DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF TOPADUR PHARMA AG (CH) 2022-03-10 US disclosed
US-11242347-B2 2-phenyl-3,4-dihydropyrrolo[2,1-Ff] [1,2,4]triazinone derivatives as phosphodiesterase inhibitors and uses thereof TOPADUR PHARMA AG (CH) 2022-02-08 US disclosed
US-11242347-B2 2-phenyl-3,4-dihydropyrrolo[2,1-Ff] [1,2,4]triazinone derivatives as phosphodiesterase inhibitors and uses thereof TOPADUR PHARMA AG (CH) 2022-02-08 US disclosed
EP-3124114-A1 TRANSESTERIFICATION REACTION BY MEANS OF IRON CATALYST Kyushu University, National University Corporation (JP) 2017-02-01 EP disclosed
EP-3074377-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2016-10-05 EP disclosed
WO-2015078374-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2015-06-04 WO disclosed
CN-102471277-B Heterocyclic compounds for killing microorganisms SYNGENTA PARTICIPATIONS AG 2015-05-06 CN disclosed
CN-104487435-A Benzodioxanes in combination with other actives for inhibiting leukotriene production BOEHRINGER INGELHEIM INT 2015-04-01 CN disclosed
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP TAKASAGO INTERNATIONAL CORPORATION (JP) 2013-07-25 US disclosed
CN-102471277-A Heterocyclic compounds for killing microorganisms SYNGENTA PARTICIPATIONS AG 2012-05-23 CN disclosed
EP-2196451-A1 ACYLATION REACTION OF HYDROXYL GROUP Takasago International Corporation (JP) 2010-06-16 EP disclosed
US-20090233910-A1 Npy antagonists, preparation and uses CEREP (FR) 2009-09-17 US disclosed
CN-1390201-A cyclic amine compounds as CCR5 antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-01-08 CN 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 (8 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-20220169655-A1 2-PHENYL-3,4-DIHYDROPYRROLO[2,1 -F] [1,2,4]TRIAZINONE DERIVATIVES AS PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE7A, GNAO1, PDE3A TDP1 674/4885LMNA 2511/4885MAPK1 1229/4885
US-11242347-B2 2-phenyl-3,4-dihydropyrrolo[2,1-Ff] [1,2,4]triazinone derivatives as phosphodiesterase inhibitors and uses thereof PDE7A, PDE3A, CHRM3 TDP1 579/4885LMNA 2605/4885MAPK1 1670/4885
US-20220073529-A1 DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE5A, PDE1A, PDE2A TDP1 66/4885LMNA 1162/4885MAPK1 1878/4885
US-20130190502-A1 ACYLATION REACTION OF HYDROXYL GROUP ADH5, ADH1A, ACADM TDP1 4433/4885LMNA 4766/4885MAPK1 4580/4885
US-20090233910-A1 Npy antagonists, preparation and uses NPY1R, NPY5R, NPY2R TDP1 2128/4885LMNA 2227/4885MAPK1 1312/4885
US-11897890-B2 2-phenyl-3,4-dihydropyrrolo[2,1 -f] [1,2,4]triazinone derivatives as phosphodiesterase inhibitors and uses thereof PDE7A, GNAO1, PDE3A TDP1 674/4885LMNA 2511/4885MAPK1 1229/4885
US-11905293-B2 Dual mode of action soluble guanylate cyclase activators and phosphodiesterase inhibitors and uses thereof PDE5A, PDE1A, PDE2A TDP1 66/4885LMNA 1162/4885MAPK1 1878/4885
US-20240360136-A1 DUAL MODE OF ACTION SOLUBLE GUANYLATE CYCLASE ACTIVATORS AND PHOSPHODIESTERASE INHIBITORS AND USES THEREOF PDE5A, PDE1A, PDE2A TDP1 66/4885LMNA 1162/4885MAPK1 1878/4885

“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.