SCHEMBL998429

SCHEMBL998429

Brc1ccc(C2CCCNC2)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
SCHEMBL15777910 1.00 HTR3A (0.53) HTR3ACYP2D6SLC6A2SLC6A4SLC6A3
SCHEMBL83831 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 121 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461597-B Preparation method of nilaparib intermediate 天津太平洋化学制药有限公司 2023-07-21 CN claimed
CN-111333544-B Intermediate for synthesizing nilapanib and preparation method thereof 上海博璞诺科技发展有限公司 2023-02-21 CN claimed
CN-115108968-A Production method of 3- (4-bromophenyl) -piperidine 上药康丽(常州)药业有限公司 2022-09-27 CN claimed
CN-114507651-A Recombinant transaminase and application thereof in preparation of chiral intermediate of nilapali 西南交通大学 2022-05-17 CN claimed
CN-113461597-A Preparation method of nilapanib intermediate 天津太平洋化学制药有限公司 2021-10-01 CN claimed
CN-111808016-A Preparation method of nilapanib intermediate (S) -3- (4-bromophenyl) piperidine 成都正善达生物医药科技有限公司 2020-10-23 CN claimed
CN-111592467-A Nilaparib intermediate, preparation method and application thereof, and synthesis method of nilapab 宁波人健化学制药有限公司 2020-08-28 CN claimed
CN-111333544-A Intermediate for synthesizing nilapanib and preparation method thereof 上海博璞诺科技发展有限公司 2020-06-26 CN claimed
CN-109456253-B Method for synthesizing (S) -3- (4-bromophenyl) -piperidine or salt thereof through chiral induction 上海博璞诺科技发展有限公司 2020-04-07 CN claimed
CN-110698388-A Method for industrially producing (S) -3- (4-bromophenyl) piperidine 暨明医药科技(苏州)有限公司 2020-01-17 CN claimed
CN-109456253-A A kind of method of chiral induction synthesis (S) -3- (4- bromophenyl)-piperidines or its salt 上海博璞诺科技发展有限公司 2019-03-12 CN claimed
CN-108409638-A A kind of Niraparib intermediates(S)-3-(4- bromophenyls)The preparation method of piperidines 东南大学 2018-08-17 CN claimed
CN-107759506-A A kind of Buddhist nun draws the preparation method of (4 bromophenyl) piperidines of Pabuk intermediate S 3 四川同晟生物医药有限公司 2018-03-06 CN claimed
CN-119751337-A Preparation method of high-purity nilaparib intermediate 南京唯创远医药科技有限公司 2025-04-04 CN disclosed
CN-119409624-A In nilaparib Process for the preparation of intermediates 泰迩生物医药泰州有限公司 2025-02-11 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
US-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives SANOFI (FR) 2006-11-09 US disclosed
CN-1764650-A 2, 3, 6-trisubstituted-4-pyrimidone derivatives MITSUBISHI PHARMA CORP (JP) 2006-04-26 CN disclosed
EP-1608630-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES Mitsubishi Pharma Corporation (JP) 2005-12-28 EP disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 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 (1 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-20060252768-A1 2,3,6-Trisubstituted-4-pyrimidone derivatives PSEN1, PSEN2, MAPT HTR3A 665/4885CYP2D6 3086/4885SLC6A2 628/4885

“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.