SCHEMBL1532455

SCHEMBL1532455

Cc1nccnc1CC(C)C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 2/20 0.40
PDE3A Q14432 2/20 0.40
KDM4E B2RXH2 2/20 0.39
USP2 O75604 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39
CACNA2D1 P54289 1/20 0.33
CYP2D6 P10635 1/20 0.32
HRH1 P35367 1/20 0.32
TRPM8 Q7Z2W7 1/20 0.32
NOS3 P29474 1/20 0.31
NOS1 P29475 1/20 0.31
NOS2 P35228 1/20 0.31
POLB P06746 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL30110738 1.00 PDE3B (0.40) PDE3BPDE3AKDM4EUSP2HPGD
SCHEMBL18858530 0.85 PDE3B (0.44) PDE3BPDE3AKDM4EUSP2HPGD
SCHEMBL28250134 0.84 FDPS (0.42) PDE3BPDE3AKDM4EUSP2HPGD
SCHEMBL10203039 0.77 CACNA2D1 (0.35) CACNA2D1CYP2D6HRH1NOS3NOS1
SCHEMBL30610258 0.76 PDE3B (0.40) PDE3BPDE3AKDM4EUSP2HPGD
SCHEMBL13980103 0.76 PDE3B (0.40) PDE3BPDE3AKDM4EUSP2HPGD
SCHEMBL11786386 0.74 PDE3B (0.39) PDE3BPDE3AKDM4EUSP2HPGD
SCHEMBL10964015 0.74 PDE3B (0.39) PDE3BPDE3AKDM4EUSP2HPGD
SCHEMBL9953172 0.74 PDE3B (0.39) PDE3BPDE3AKDM4EUSP2HPGD
SCHEMBL28235835 0.74 KDM4E (0.42) PDE3BPDE3AKDM4EUSP2HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20260096585-A1 ORAL COMPOSITION KAO CORPORATION (JP) 2026-04-09 US claimed
EP-4591720-A1 ORAL COMPOSITION Kao Corporation (JP) 2025-07-30 EP claimed
CN-119908504-A Electronic atomization liquid with sweet taste, preparation method and electronic atomization device 思摩尔国际控股有限公司 2025-05-02 CN claimed
CN-119655345-A Coffee replica made from a single component 航行食品股份有限公司 2025-03-21 CN claimed
US-20250008978-A1 COFFEE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS Voyage Foods, Inc. 2025-01-09 US claimed
EP-4470389-A2 COFFEE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS Voyage Foods, Inc. (US) 2024-12-04 EP claimed
CN-119009136-A Pyrazinyl eutectic electrolyte with wide electrochemical stability window, and preparation method and application thereof 中国科学院长春应用化学研究所 2024-11-22 CN claimed
CN-118914433-A Method for simultaneously separating multiple groups of isomers and quantitatively detecting 24 pyrazine compounds 泸州品创科技有限公司 2024-11-08 CN claimed
EP-3930472-B1 COFFEE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS VOYAGE FOODS INC (US) 2024-09-11 EP claimed
US-20240260600-A1 COFFEE REPLICAS PRODUCED FROM INDIVIDUAL COMPONENTS Voyage Foods, Inc. 2024-08-08 US claimed
EP-2931236-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS The Procter & Gamble Company (US) 2015-10-21 EP claimed
EP-2931854-A1 FRAGRANCE MATERIALS The Procter & Gamble Company (US) 2015-10-21 EP claimed
CN-104902869-A Personal care compositions PROCTER & GAMBLE 2015-09-09 CN claimed
CN-104837973-A Fragrance materials PROCTER & GAMBLE 2015-08-12 CN claimed
US-20140179722-A1 Antiperspirant and Deodorant Compositions THE PROCTER & GAMBLE COMPANY (US) 2014-06-26 US claimed
WO-2014093807-A1 FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO claimed
US-20140170194-A1 FRAGRANCE MATERIALS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 US claimed
US-20140170101-A1 Antiperspirant and Deodorant Compositions THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 US claimed
WO-2014093819-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO claimed
WO-2014093747-A2 ANTIPERSPIRANT AND DEODORANT COMPOSITIONS THE PROCTER & GAMBLE COMPANY (US) 2014-06-19 WO 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 (2 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-20140170101-A1 Antiperspirant and Deodorant Compositions LPO, GPX4, DEK PDE3B 655/4885PDE3A 372/4885KDM4E 1936/4885
US-20260096585-A1 ORAL COMPOSITION TAS2R5, TAS2R16, TAS2R45 PDE3B 965/4885PDE3A 884/4885KDM4E 674/4885

“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.