SCHEMBL83831

SCHEMBL83831

Brc1ccc([C@H]2CCCNC2)cc1

nearest known ligand 0.66

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.53
CYP2D6 P10635 1/20 0.50
SLC6A2 P23975 1/20 0.50
SLC6A4 P31645 1/20 0.50
SLC6A3 Q01959 1/20 0.50
KCNH2 Q12809 1/20 0.50
DRD2 P14416 1/20 0.47
DRD3 P35462 1/20 0.47

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
SCHEMBL998429 1.00 HTR3A (0.53) HTR3ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL15777910 1.00 HTR3A (0.53) HTR3ACYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL19459131 0.98 HTR3A (0.52) HTR3ACYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL29969490 0.98 HTR3A (0.52) HTR3ACYP2D6SLC6A2SLC6A4SLC6A3
Hydrochloric Acid SCHEMBL19459257 0.98 HTR3A (0.52) HTR3ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL12640684 0.90 HTR3A (0.66) HTR3A
SCHEMBL1002475 0.90 HTR3A (0.66) HTR3A
Oxalic Acid SCHEMBL31198885 0.90 JAK3 (0.48)
Hydrochloric Acid SCHEMBL15300834 0.88 HTR3A (0.63) HTR3A
Tartaric Acid SCHEMBL31388195 0.84

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 16 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964546-B Preparation method of nilaparib intermediate 成都硕德药业有限公司 2024-06-11 CN disclosed
CN-117964546-B Preparation method of nilaparib intermediate 成都硕德药业有限公司 2024-06-11 CN disclosed
CN-117964546-A Preparation method of nilaparib intermediate 成都硕德药业有限公司 2024-05-03 CN disclosed
CN-117964546-A Preparation method of nilaparib intermediate 成都硕德药业有限公司 2024-05-03 CN disclosed
EP-3442977-B1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORP (US) 2023-06-28 EP disclosed
US-20170298069-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION 2017-10-19 US disclosed
WO-2017181117-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE BLUEPRINT MEDICINES CORPORATION (US) 2017-10-19 WO disclosed
US-8129377-B2 6-(pyridinyl)-4-pyrimidone derivates as tau protein kinase 1 inhibitors MITSUBISHI TANABE PHARMA CORPORATION (JP) 2012-03-06 US disclosed
EP-1805164-B9 6-(PYRIDINYL)-4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2011-09-07 EP disclosed
EP-1805164-B1 6-(PYRIDINYL)-4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI TANABE PHARMA CORP (JP) 2011-02-23 EP disclosed
EP-2266969-A2 6-(Pyridinyl)-4-pyrimidone derivatives as tau protein kinase 1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2010-12-29 EP disclosed
EP-2261224-A2 6-(Pyridinyl)-4-pyrimidone derivatives as tau protein kinase 1 inhibitors Mitsubishi Tanabe Pharma Corporation (JP) 2010-12-15 EP disclosed
US-20090239864-A1 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI PHARMA CORPORATION (JP) 2009-09-24 US disclosed
CN-101048397-A 6-(pyridinyl)-4-pyrimidone derivates as tau protein kinase 1 inhibitors MITSUBISHI PHARMA CORP (JP) 2007-10-03 CN disclosed
EP-1805164-A2 6-(PYRIDINYL)-4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS Mitsubishi Pharma Corporation (JP) 2007-07-11 EP disclosed
WO-2006036015-A2 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MITSUBISHI PHARMA CORPORATION (JP) 2006-04-06 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 (2 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-20090239864-A1 6- (PYRIDINYL) -4-PYRIMIDONE DERIVATES AS TAU PROTEIN KINASE 1 INHIBITORS MAPT, TTBK1, PSEN1 HTR3A 2470/4885CYP2D6 1266/4885SLC6A2 2572/4885
US-20170298069-A1 INHIBITORS OF ACTIVIN RECEPTOR-LIKE KINASE ACVR1, ACVR2A, ACVRL1 HTR3A 2064/4885CYP2D6 4133/4885SLC6A2 4403/4885

“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.