SCHEMBL9917028

SCHEMBL9917028

CN1Cc2ccccc2C(C)(C)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.45
MAOB P27338 2/20 0.45
NOTUM Q6P988 1/20 0.40
HTR2A P28223 2/20 0.38
HTR2C P28335 2/20 0.38
HTR2B P41595 1/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
DRD5 P21918 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL29676365 1.00 MAOA (0.45) MAOAMAOBNOTUMHTR2AHTR2C
SCHEMBL8176395 0.85 MAOA (0.40) MAOAMAOBHTR2AMAPK1SMN1; SMN2
SCHEMBL10957365 0.81 MAPK1 (0.42) MAOAMAOBMAPK1SMN1; SMN2DRD1
SCHEMBL12935341 0.80 MAOA (0.45) MAOAMAOBMAPK1SMN1; SMN2DRD2
SCHEMBL2625759 0.79 MEN1 (0.39) NOTUMHTR2AHTR2CHTR2BSMN1; SMN2
Hydrochloric Acid SCHEMBL10954390 0.79 MAOA (0.44) MAOAMAOBMAPK1SMN1; SMN2DRD1
SCHEMBL17383970 0.78 MAOA (0.48) MAOAMAOBNOTUMDRD2DRD1
SCHEMBL13068444 0.78 HTR2A (0.40) NOTUMHTR2AHTR2CHTR2B
SCHEMBL29391669 0.78 MAOA (0.48) MAOAMAOBNOTUMDRD2DRD1
SCHEMBL15345114 0.78 MAOA (0.44) MAOAMAOBMAPK1SMN1; SMN2DRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS ALKAHEST, INC. 2024-01-25 US disclosed
US-20230350294-A1 Negative Photosensitive Resin Composition, Patterning Process, Interlayer Insulating Film, Surface Protection Film, And Electronic Component SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-02 US disclosed
US-20230350294-A1 Negative Photosensitive Resin Composition, Patterning Process, Interlayer Insulating Film, Surface Protection Film, And Electronic Component SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-11-02 US disclosed
US-20230346764-A1 Methods and Compositions for Treating Pruritus, Xerosis, and Associated Disease Using CCR3-Inhibitors ALKAHEST, INC. 2023-11-02 US disclosed
US-11768434-B2 Polymer having a structure of polyamide, polyamide-imide, or polyimide, photosensitive resin composition, patterning process, photosensitive dry film, and protective film for electric and electronic parts SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-26 US disclosed
US-11768434-B2 Polymer having a structure of polyamide, polyamide-imide, or polyimide, photosensitive resin composition, patterning process, photosensitive dry film, and protective film for electric and electronic parts SHIN-ETSU CHEMICAL CO., LTD. (JP) 2023-09-26 US disclosed
US-11613527-B2 Enzyme inhibitors KALVISTA PHARMACEUTICALS LIMITED (GB) 2023-03-28 US disclosed
US-11345710-B2 Imidazo[1,2-b]pyrimido[4,5-d]pyridazin-5(6H)-ones and the use thereof Impact Therapeutics (Shanghai), Inc (CN) 2022-05-31 US disclosed
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones Impact Therapeutics (Shanghai), Inc (CN) 2022-05-31 US disclosed
US-20220048894-A1 ENZYME INHIBITORS KALVISTA PHARMACEUTICALS LIMITED (GB) 2022-02-17 US disclosed
US-8653075-B2 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-02-18 US disclosed
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-01-24 US disclosed
US-8278302-B2 Substituted piperidines as CCR3 antagonists BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-10-02 US disclosed
US-20120149698-A1 NOUVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-14 US disclosed
US-8110575-B2 Compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-07 US disclosed
US-20110195954-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-08-11 US disclosed
US-20110021500-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-01-27 US disclosed
EP-2251339-A2 COMPOUNDS Boehringer Ingelheim International GmbH (DE) 2010-11-17 EP disclosed
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-10-14 US disclosed
EP-2062889-A1 Compounds Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2009-05-27 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 (11 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-20110021500-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA MAOA 875/4885MAOB 818/4885NOTUM 3793/4885
US-11613527-B2 Enzyme inhibitors SERPINB1, KLKB1, SERPINE1 MAOA 175/4885MAOB 71/4885NOTUM 448/4885
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 MAOA 4170/4885MAOB 4266/4885NOTUM 366/4885
US-20120149698-A1 NOUVEL COMPOUNDS BDKRB2, CALCR, CALCRL MAOA 1381/4885MAOB 780/4885NOTUM 573/4885
US-20230346764-A1 Methods and Compositions for Treating Pruritus, Xerosis, and Associated Disease Using CCR3-Inhibitors CCR3, CCR1, CCR4 MAOA 4339/4885MAOB 3867/4885NOTUM 3251/4885
US-20240024305-A1 METHODS AND COMPOSITIONS FOR TREATING RETINA-ASSOCIATED DISEASE USING CCR3-INHIBITORS CCR3, CCR1, CCR4 MAOA 4713/4885MAOB 4254/4885NOTUM 4588/4885
US-20110195954-A1 NOVEL COMPOUNDS CALCRL, CALCR, CALCA MAOA 700/4885MAOB 702/4885NOTUM 3226/4885
US-20220048894-A1 ENZYME INHIBITORS SERPINB1, KLKB1, SERPINE1 MAOA 175/4885MAOB 71/4885NOTUM 448/4885
US-11345710-B2 Imidazo[1,2-b]pyrimido[4,5-d]pyridazin-5(6H)-ones and the use thereof WEE1, WEE2, CCNE1 MAOA 3856/4885MAOB 3037/4885NOTUM 489/4885
US-20100261687-A1 SUBSTITUTED PIPERIDINES AS CCR3 ANTAGONISTS CCR3, CCR1, CCR4 MAOA 4694/4885MAOB 4531/4885NOTUM 4288/4885
US-20130023517-A1 Therapeutic methods employing substituted piperidines which are CCR3 antagonists CCR3, CCR1, CCR4 MAOA 4706/4885MAOB 4353/4885NOTUM 4413/4885

“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.