SCHEMBL269372

SCHEMBL269372

C[C](C)Cc1cccc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.62
ACP3 P15309 1/20 0.55
CYP1A2 P05177 2/20 0.53
CYP2C19 P33261 2/20 0.53
CYP2D6 P10635 1/20 0.53
CYP2C9 P11712 1/20 0.52
ATM Q13315 1/20 0.51
SIRT5 Q9NXA8 1/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL6027916 0.83 TDP1 (0.58) TDP1ACP3CYP1A2CYP2C19CYP2D6
SCHEMBL30716622 0.83 TDP1 (0.69) TDP1ACP3CYP1A2CYP2C19CYP2D6
SCHEMBL266575 0.83 TDP1 (0.69) TDP1ACP3CYP1A2CYP2C19CYP2D6
SCHEMBL28879828 0.83 TDP1 (0.58) TDP1ACP3CYP1A2CYP2C19CYP2D6
SCHEMBL6028190 0.82 TDP1 (0.56) TDP1ACP3CYP1A2CYP2C19CYP2D6
SCHEMBL8115814 0.82 TDP1 (0.56) TDP1ACP3CYP1A2CYP2C19CYP2D6
SCHEMBL6616146 0.82 TDP1 (0.43) TDP1ACP3ATMSIRT5L3MBTL1
SCHEMBL7617976 0.80 TDP1 (0.55) TDP1CYP1A2CYP2C19CYP2D6CYP2C9
SCHEMBL30475861 0.80 TDP1 (0.65) TDP1ACP3ATMSIRT5L3MBTL1
SCHEMBL5008796 0.80 TDP1 (0.59) TDP1ACP3CYP1A2CYP2C19CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116507633-A Glycosylated IL-2 proteins and uses thereof 阿森迪斯药物肿瘤股份有限公司 2023-07-28 CN disclosed
CN-116133676-A IL-2 sequences and uses thereof 阿森迪斯药物肿瘤股份有限公司 2023-05-16 CN disclosed
CN-109433253-B Catalyst for preparing 2, 6-di-tert-butyl naphthalene by naphthalene shape-selective alkylation and preparation method and application thereof 中国科学院大连化学物理研究所 2020-11-27 CN disclosed
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-09-13 US disclosed
EP-3365324-A1 SYNTHESIS OF CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS The Procter and Gamble Company (US) 2018-08-29 EP disclosed
US-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2018-06-19 US disclosed
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-06-15 US disclosed
WO-2017070418-A1 SYNTHESIS OF CYCLOHEXANE CARBOXAMIDE DERIVATIVES USEFUL AS SENSATES IN CONSUMER PRODUCTS THE PROCTER & GAMBLE COMPANY (US) 2017-04-27 WO disclosed
US-9611214-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2017-04-04 US disclosed
CN-103613527-B N, N-substituted 3-aminopyrrolidine compounds useful as monoamine reuptake inhibitors OTSUKA PHARMACEUTICAL CO.,LTD. (JP) 2016-02-24 CN disclosed
WO-1997045436-A1 CARBOHYDRATE DERIVATIVES AND THEIR SOLID-PHASE SYNTHESIS BASF AKTIENGESELLSCHAFT (DE) 1997-12-04 WO disclosed
CN-1130377-A Cyclic amide derivatives OTSUKA PHARMA CO LTD (JP) 1996-09-04 CN disclosed
EP-0719258-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-07-03 EP disclosed
WO-1996002508-A1 CYCLIC AMIDE DERIVATIVES FOR PROTECTING AGAINST ULTRAVIOLET RAYS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1996-02-01 WO disclosed
EP-0670323-A1 Dimeric bisacylphosphines, bisacylphosphine oxides and bisacylphosphine sulfides CIBA-GEIGY AG (CH) 1995-09-06 EP disclosed
US-5272268-A Dipeptide derivatives SHIONOGI & CO., LTD. (JP) 1993-12-21 US disclosed
US-5223615-A Hypotensive agents SHIONOGI & CO., LTD. (JP) 1993-06-29 US disclosed
US-5194608-A Hypotensive agents; inhibits renin-angiotensin system SHIONOGI & CO., LTD. (JP) 1993-03-16 US disclosed
US-4849527-A HETEROCYCLIC SUBSTITUTED UREA DERIVATIVE BRISTOL-MYERS COMPANY (US) 1989-07-18 US disclosed
US-4463176-A REGENERATION OF SEPARATED CHIRAL ISOCYANATE-TREATED ADRENERGIC BLOCKING AGENTS USING HYDRAZINE HYDRATE AND A KETO ACID MEAD JOHNSON & COMPANY (US) 1984-07-31 US 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 (3 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-10000450-B2 N,N-substituted 3-aminopyrrolidine compounds useful as monoamines reuptake inhibitors SLC6A2, TPH1, SLC6A3 TDP1 636/4885ACP3 3170/4885CYP1A2 121/4885
US-20180258038-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 TDP1 636/4885ACP3 3170/4885CYP1A2 121/4885
US-20170166524-A1 N,N-SUBSTITUTED 3-AMINOPYRROLIDINE COMPOUNDS USEFUL AS MONOAMINES REUPTAKE INHIBITORS SLC6A2, TPH1, SLC6A3 TDP1 636/4885ACP3 3170/4885CYP1A2 121/4885

“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.