SCHEMBL17815188

SCHEMBL17815188

Cc1csc2c1CN(C)CC2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.40
DRD2 P14416 2/20 0.38
DRD1 P21728 2/20 0.38
DRD4 P21917 2/20 0.38
DRD5 P21918 2/20 0.38
DRD3 P35462 2/20 0.38
MAOA P21397 2/20 0.35
MAOB P27338 2/20 0.35
CYP2C19 P33261 2/20 0.34
CHRNA7 P36544 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 4/20 0.33
HPGD P15428 3/20 0.33
KDM4E B2RXH2 3/20 0.33
MAPT P10636 3/20 0.33
MEN1 O00255 2/20 0.33
GLA P06280 2/20 0.33
KMT2A Q03164 2/20 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
SCHEMBL18378881 0.85 KMT2A (0.38) KCNQ2DRD2DRD1DRD4DRD5
SCHEMBL19709345 0.79 DRD3 (0.40) DRD2DRD1DRD4DRD5DRD3
SCHEMBL19709442 0.77 ADRA2A (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL24034527 0.74 HPGD (0.41) CYP2C19CYP1A2CYP2D6ALDH1A1HPGD
SCHEMBL17377044 0.71 KCNQ2 (0.37) KCNQ2CYP2C19ALDH1A1HPGDKDM4E
SCHEMBL13021599 0.70 HPGD (0.44) CYP2C19CYP1A2L3MBTL1ALDH1A1HPGD
SCHEMBL23840301 0.69 HPGD (0.44) CYP2C19CYP1A2ALDH1A1HPGDKDM4E
SCHEMBL24733006 0.68 MAOA (0.38) DRD2DRD1DRD4DRD5DRD3
SCHEMBL18379188 0.68 KDM4E (0.44) DRD2DRD1DRD4DRD5DRD3
SCHEMBL17377155 0.68 KCNQ2 (0.38) KCNQ2KDM4EMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11504443-B2 Odor-modulating agent and odor-modulating method YAMAMOTO PERFUMERY CO., LTD. (JP) 2022-11-22 US claimed
CN-111565764-A Odor conversion agent for conversion of odor of asphalt, sludge, sewage, ginkgo biloba, compost, marine animal, vegetable, garbage or coating, and odor conversion method for conversion of odor of asphalt, sludge, sewage, ginkgo biloba, compost, marine animal, vegetable, garbage or coating 山本香料株式会社 2020-08-21 CN claimed
US-20190175777-A1 ODOR-MODULATING AGENT AND ODOR-MODULATING METHOD YAMAMOTO PERFUMERY CO., LTD. (JP) 2019-06-13 US claimed
EP-3467078-A1 ODOR-MODULATING AGENT AND ODOR-MODULATING METHOD Yamamoto Perfumery Co. Ltd. (JP) 2019-04-10 EP claimed
US-11504443-B2 Odor-modulating agent and odor-modulating method YAMAMOTO PERFUMERY CO., LTD. (JP) 2022-11-22 US disclosed
WO-2022161420-A1 CLASS OF HETEROAROMATIC COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF 上海翊石医药科技有限公司 2022-08-04 WO disclosed
CN-114672359-A Lubricating oil 山本香料株式会社 2022-06-28 CN disclosed
CN-109689117-B Odor conversion method 山本香料株式会社 2021-03-30 CN disclosed
CN-111565764-A Odor conversion agent for conversion of odor of asphalt, sludge, sewage, ginkgo biloba, compost, marine animal, vegetable, garbage or coating, and odor conversion method for conversion of odor of asphalt, sludge, sewage, ginkgo biloba, compost, marine animal, vegetable, garbage or coating 山本香料株式会社 2020-08-21 CN disclosed
US-20190175777-A1 ODOR-MODULATING AGENT AND ODOR-MODULATING METHOD YAMAMOTO PERFUMERY CO., LTD. (JP) 2019-06-13 US disclosed
EP-3467078-A1 ODOR-MODULATING AGENT AND ODOR-MODULATING METHOD Yamamoto Perfumery Co. Ltd. (JP) 2019-04-10 EP disclosed
WO-2017214301-A1 ANTI-EGFR ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
WO-2017214458-A2 ANTI-CD98 ANTIBODIES AND ANTIBODY DRUG CONJUGATES ABBVIE INC. (US) 2017-12-14 WO disclosed
WO-2016094517-A1 BCL-XL INHIBITORY COMPOUNDS AND ANTIBODY DRUG CONJUGATES INCLUDING THE SAME ABBVIE INC. (US) 2016-06-16 WO disclosed
US-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same ABBVIE INC. (US) 2016-06-09 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 (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-20160158377-A1 BCL-XL Inhibitory Compounds and Antibody Drug Conjugates Including the Same BCL2, BCL2L10, BAX KCNQ2 3727/4885DRD2 2756/4885DRD1 3002/4885

“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.