SCHEMBL208135

SCHEMBL208135

Brc1ccc2n[c]ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.47
HTT P42858 2/20 0.38
PABPC1 P11940 1/20 0.37
CYP2A6 P11509 2/20 0.37
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C19 P33261 1/20 0.34
NOS1 P29475 1/20 0.34
METAP2 P50579 1/20 0.34
CSNK2A1 P68400 1/20 0.34
HDAC1 Q13547 2/20 0.33
HDAC2 Q92769 2/20 0.33
TLR2 O60603 1/20 0.33
NT5E P21589 1/20 0.33
PIK3R1 P27986 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL208857 0.83 BACE1 (0.48) BACE1HTTPABPC1CYP2A6ALDH1A1
SCHEMBL7630593 0.75 KDM4E (0.52) HTTALDH1A1KDM4EMEN1MAPT
SCHEMBL206393 0.75 BACE1 (0.47) BACE1HTTCYP2A6ALDH1A1KDM4E
SCHEMBL208188 0.75 F7 (0.38) BACE1CYP2A6ALDH1A1KDM4ENOS1
SCHEMBL407633 0.75 CYP1A2 (0.55) BACE1CYP2A6ALDH1A1KDM4EMEN1
SCHEMBL209268 0.72
SCHEMBL5748489 0.71 CYP1A2 (0.42) HTTCYP2A6ALDH1A1KDM4EMEN1
SCHEMBL1826613 0.71 HRH3 (0.38) CYP2A6ALDH1A1KDM4EMETAP2APP
SCHEMBL16288916 0.71 ALDH1A1 (0.36) ALDH1A1MEN1MAPTKMT2A
SCHEMBL5748279 0.71 CYP2A6 (0.38) CYP2A6ALDH1A1KDM4EMEN1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116178297-B Drimane type sesquiterpene heterocyclic compound and preparation method and application thereof 贵州大学 2024-05-17 CN claimed
CN-111094233-B Compounds, compositions, and methods 戴纳立制药公司 2024-03-15 CN claimed
CN-116178297-A Drimane type sesquiterpene heterocyclic compound and preparation method and application thereof 贵州大学 2023-05-30 CN claimed
US-20210147435-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. 2021-05-20 US claimed
EP-3665156-A1 COMPOUNDS, COMPOSITIONS AND METHODS Denali Therapeutics Inc. (US) 2020-06-17 EP claimed
CN-111094233-A Compounds, compositions and methods 戴纳立制药公司 2020-05-01 CN claimed
WO-2019032743-A1 COMPOUNDS, COMPOSITIONS AND METHODS DENALI THERAPEUTICS INC. (US) 2019-02-14 WO claimed
EP-2389066-B1 CYCLOPENTADIONE DERIVED HERBICIDES SYNGENTA LTD (GB) 2017-07-05 EP claimed
EP-2387569-B1 HERBCIDES SYNGENTA LTD (GB) 2016-06-15 EP claimed
US-8895474-B2 Herbicidally active cyclopentanediones and derivatives thereof, and their use in controlling weeds SYNGENTA LIMITED (GB) 2014-11-25 US claimed
US-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2006-11-09 US claimed
US-20050245565-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-03 US claimed
EP-1577302-A1 NOVEL ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
EP-1577301-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-09-21 EP claimed
US-20050119486-A1 Diamine derivatives DAIICHI SANKYO COMPANY, LIMITED (JP) 2005-06-02 US claimed
US-20050020645-A1 Diamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-01-27 US claimed
US-20040122063-A1 Ethylenediamine derivatives DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-06-24 US claimed
EP-1415992-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-05-06 EP claimed
EP-1405852-A1 DIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2004-04-07 EP claimed
EP-1270557-A1 ETHYLENEDIAMINE DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2003-01-02 EP claimed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 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-20060252837-A1 Cyclic diamine derivatives useful as agents for preventing and/or treating cerebral infarction, cerebral embolism, myocardial infarction, angina pectoris, pulmonary infarction, pulmonary embolism; inhibit activated blood coagulation factor X F2, C1S, C9 BACE1 1215/4885HTT 3634/4885PABPC1 2657/4885
US-20050020645-A1 Diamine derivatives C9, C1S, C1R BACE1 1649/4885HTT 2635/4885PABPC1 1856/4885
US-20050245565-A1 Diamine derivatives C9, C1S, C1R BACE1 1649/4885HTT 2635/4885PABPC1 1856/4885
US-20050119486-A1 Diamine derivatives C9, C1S, C1R BACE1 1649/4885HTT 2635/4885PABPC1 1856/4885
US-20210147435-A1 COMPOUNDS, COMPOSITIONS AND METHODS EIF4EBP1, EIF4B, EIF4E BACE1 3801/4885HTT 2508/4885PABPC1 322/4885
US-20040122063-A1 Ethylenediamine derivatives ECE1, F2, ECE2 BACE1 3719/4885HTT 1833/4885PABPC1 3503/4885

“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.