SCHEMBL8911540

SCHEMBL8911540

c1cncc(CC2CCCCC2)c1

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.54
ALDH1A1 P00352 1/20 0.54
PKM P14618 1/20 0.54
CHRNA7 P36544 3/20 0.51
CHRNB2 P17787 2/20 0.51
CHRNA4 P43681 2/20 0.51
CYP11B2 P19099 1/20 0.50
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46

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
SCHEMBL27686945 0.98 KDM4E (0.56) KDM4EALDH1A1PKMCHRNA7CHRNB2
SCHEMBL31054426 0.94 CHRNA7 (0.53) KDM4EALDH1A1PKMCHRNA7CHRNB2
SCHEMBL9534698 0.94 CHRNA7 (0.53) KDM4EALDH1A1PKMCHRNA7CHRNB2
SCHEMBL24933229 0.90 CHRNB2 (0.56) KDM4EALDH1A1PKMCHRNA7CHRNB2
SCHEMBL38663623 0.82 GBA1 (0.62) KDM4EALDH1A1PKMCHRNA7CHRNB2
SCHEMBL2279484 0.82 GBA1 (0.62) KDM4EALDH1A1PKMCHRNA7CHRNB2
SCHEMBL13503878 0.82 CHRNA7 (0.49) KDM4EALDH1A1PKMCHRNA7CHRNB2
Hydrochloric Acid SCHEMBL3301662 0.81 GBA1 (0.61) KDM4EALDH1A1PKMCHRNA7CHRNB2
Ammonia Solution, Strong SCHEMBL5378833 0.81 CHRNA7 (0.48) KDM4EALDH1A1PKMCHRNA7CHRNB2
Hydrochloric Acid SCHEMBL18280120 0.81 GBA1 (0.61) KDM4EALDH1A1PKMCHRNA7CHRNB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12180221-B2 Compounds and uses thereof JANSSEN PHARMACEUTICA NV (BE) 2024-12-31 US disclosed
CN-118084800-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-118084801-A Compounds and uses thereof 詹森药业有限公司 2024-05-28 CN disclosed
CN-112312913-B Compounds and uses thereof 詹森药业有限公司 2024-03-08 CN disclosed
US-20230078764-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2023-03-16 US disclosed
US-20220298168-A1 COMPOUNDS AND USES THEREOF JANSSEN PHARMACEUTICA NV (BE) 2022-09-22 US disclosed
CN-114174273-A Compounds and uses thereof 优曼尼蒂治疗公司 2022-03-11 CN disclosed
EP-3941908-A1 COMPOUNDS AND USES THEREOF Yumanity Therapeutics, Inc. (US) 2022-01-26 EP disclosed
CN-109550519-A A kind of preparation method of phosphine ruthenium functionalized ion liquid and preparation method thereof, a kind of catalyst and 4- acetoxyl group butyraldehyde 万华化学集团股份有限公司 2019-04-02 CN disclosed
CN-108802212-A A kind of liquid phase detection method of lactation period Cefquinome sulfate breast injection related substances 佛山市南海东方澳龙制药有限公司 2018-11-13 CN disclosed
CN-108802211-A The liquid phase detection method of related substances in a kind of Cefquinome sulfate breast injection 佛山市南海东方澳龙制药有限公司 2018-11-13 CN disclosed
CN-107431247-A Non-aqueous electrolyte and non-aqueous secondary battery 旭化成株式会社 2017-12-01 CN disclosed
CN-107406461-A Heterocycle alkyne hydrocarbon derivative and its purposes as mGluR5 receptor modulators 雷科尔达蒂爱尔兰有限公司 2017-11-28 CN disclosed
CN-103097391-B Novel spiroheterocyclic compounds as mGlu5 antagonists RECORDATI IRELAND LTD 2015-04-08 CN disclosed
US-5622953-A DRUG RESISTANT TO ANTICANCER CHEMOTHERAPEUTIC DRUG BASF AKTIENGESELLSCHAFT (DE) 1997-04-22 US disclosed
EP-0691962-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1996-01-17 EP disclosed
WO-1994022842-A1 1-AMINO-3-PHENOXY PROPANE DERIVATIVES AS MODULATORS OF MULTI-DRUG RESISTANCE BASF AKTIENGESELLSCHAFT (DE) 1994-10-13 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 (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-20230078764-A1 COMPOUNDS AND USES THEREOF NLN, BDNF, NQO1 KDM4E 1073/4885ALDH1A1 293/4885PKM 833/4885
US-20220298168-A1 COMPOUNDS AND USES THEREOF NLN, ACHE, CLN6 KDM4E 2853/4885ALDH1A1 656/4885PKM 1304/4885
US-12180221-B2 Compounds and uses thereof NLN, ACHE, CLN6 KDM4E 2853/4885ALDH1A1 656/4885PKM 1304/4885

“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.