SCHEMBL291399

SCHEMBL291399

COC(=O)CCc1nccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.44
PKM P14618 3/20 0.44
CYP3A4 P08684 2/20 0.44
TSHR P16473 3/20 0.41
FDPS P14324 1/20 0.41
KMT2A Q03164 3/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
LMNA P02545 3/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 2/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.39

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
SCHEMBL6970091 0.90 CYP3A4 (0.40) ALDH1A1PKMCYP3A4TSHRFDPS
SCHEMBL28152645 0.90 TSHR (0.45) ALDH1A1PKMCYP3A4TSHRFDPS
SCHEMBL5900543 0.86 ALDH1A1 (0.49) ALDH1A1PKMFDPSKMT2AMEN1
SCHEMBL6959399 0.84 HTT (0.46) ALDH1A1PKMCYP3A4TSHRFDPS
Bromide SCHEMBL5529731 0.82 HTT (0.45) ALDH1A1PKMCYP3A4TSHRFDPS
Hydrochloric Acid SCHEMBL27680689 0.82 HTT (0.45) ALDH1A1PKMCYP3A4TSHRFDPS
SCHEMBL4574427 0.81 ALDH1A1 (0.47) ALDH1A1PKMCYP3A4TSHRFDPS
SCHEMBL28011812 0.81 FDPS (0.46) ALDH1A1PKMCYP3A4TSHRFDPS
SCHEMBL10153776 0.81 ALDH1A1 (0.42) ALDH1A1PKMCYP3A4TSHRFDPS
SCHEMBL992041 0.79 FDPS (0.44) ALDH1A1TSHRFDPSMAPTHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002040449-A1 DIHYDROISOQUINOLINES AS NOVEL PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 WO claimed
EP-4275752-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS Omeros Corporation (US) 2023-11-15 EP disclosed
US-20230110784-A1 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS OMEROS CORPORATION 2023-04-13 US disclosed
CN-115192711-A Use of PDE7 inhibitors for the treatment of movement disorders 奥默罗斯公司 2022-10-18 CN disclosed
CN-114984229-A Treatment of addiction and impulse control disorders using PDE7 inhibitors 奥默罗斯公司 2022-09-02 CN disclosed
EP-3562825-B1 OXAZOLE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER LIFEARC (GB) 2022-02-16 EP disclosed
US-11207275-B2 Treatment of addiction and impulse-control disorders using PDE7 inhibitors OMEROS CORPORATION (US) 2021-12-28 US disclosed
US-10961234-B2 Oxazole derivatives for use in the treatment of cancer LIFEARC (GB) 2021-03-30 US disclosed
US-10961234-B2 Oxazole derivatives for use in the treatment of cancer LIFEARC (GB) 2021-03-30 US disclosed
CN-112168972-A Treatment of addiction and impulse control disorders using PDE7 inhibitors 奥默罗斯公司 2021-01-05 CN disclosed
US-20130267502-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2013-10-10 US disclosed
EP-2640395-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS Omeros Corporation (US) 2013-09-25 EP disclosed
WO-2012064667-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS OMEROS CORPORATION (US) 2012-05-18 WO disclosed
US-20120115849-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors OMEROS CORPORATION 2012-05-10 US disclosed
EP-2427193-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS Omeros Corporation (US) 2012-03-14 EP disclosed
US-20110091388-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION (US) 2011-04-21 US disclosed
WO-2010129036-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION (US) 2010-11-11 WO disclosed
US-20100113486-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION (US) 2010-05-06 US disclosed
US-20080260643-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS OMEROS CORPORATION (US) 2008-10-23 US disclosed
WO-2002040449-A1 DIHYDROISOQUINOLINES AS NOVEL PHOSPHODIESTERASE INHIBITORS ALTANA PHARMA AG (DE) 2002-05-23 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 (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-20080260643-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS PARK7, PDE7B, PDE7A ALDH1A1 1653/4885PKM 1519/4885CYP3A4 4096/4885
US-20120115849-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A ALDH1A1 886/4885PKM 2531/4885CYP3A4 2394/4885
US-10961234-B2 Oxazole derivatives for use in the treatment of cancer PAICS, SMARCC2, OXA1L ALDH1A1 635/4885PKM 1122/4885CYP3A4 852/4885
US-11207275-B2 Treatment of addiction and impulse-control disorders using PDE7 inhibitors PDE7B, PDE4C, PDE4A ALDH1A1 886/4885PKM 2531/4885CYP3A4 2394/4885
US-20110091388-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS PARK7, PDE7B, PDE7A ALDH1A1 1653/4885PKM 1519/4885CYP3A4 4096/4885
US-20230110784-A1 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS PDE7B, PDE4C, PDE4A ALDH1A1 886/4885PKM 2531/4885CYP3A4 2394/4885
US-20130267502-A1 Treatment of Addiction and Impulse-Control Disorders Using PDE7 Inhibitors PDE7B, PDE4C, PDE4A ALDH1A1 886/4885PKM 2531/4885CYP3A4 2394/4885
US-20100113486-A1 USE OF PDE7 INHIBITORS FOR THE TREATMENT OF MOVEMENT DISORDERS PARK7, PDE7B, PDE7A ALDH1A1 1653/4885PKM 1519/4885CYP3A4 4096/4885

“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.