SCHEMBL107589

SCHEMBL107589

CCCCCN1CCN(C)CC1

nearest known ligand 0.62

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 6/20 0.61
GNAO1 P09471 6/20 0.61
GNAI1 P63096 6/20 0.61
PAOX Q6QHF9 1/20 0.52
SIGMAR1 Q99720 2/20 0.48
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.46
ALDH1A1 P00352 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL23767406 1.00 GNAI3 (0.61) GNAI3GNAO1GNAI1PAOXSIGMAR1
SCHEMBL11737892 0.97 GNAI3 (0.65) GNAI3GNAO1GNAI1PAOXSIGMAR1
SCHEMBL10725884 0.97 GNAI3 (0.65) GNAI3GNAO1GNAI1PAOXSIGMAR1
SCHEMBL4304828 0.97 GNAI3 (0.65) GNAI3GNAO1GNAI1PAOXSIGMAR1
SCHEMBL11741978 0.97 GNAI3 (0.65) GNAI3GNAO1GNAI1PAOXSIGMAR1
SCHEMBL5770286 0.97 GNAI3 (0.65) GNAI3GNAO1GNAI1PAOXSIGMAR1
SCHEMBL10520655 0.97 GNAI3 (0.65) GNAI3GNAO1GNAI1PAOXSIGMAR1
SCHEMBL11739779 0.97 GNAI3 (0.65) GNAI3GNAO1GNAI1PAOXSIGMAR1
SCHEMBL11739399 0.97 GNAI3 (0.65) GNAI3GNAO1GNAI1PAOXSIGMAR1
SCHEMBL11740614 0.97 GNAI3 (0.65) GNAI3GNAO1GNAI1PAOXSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4393922-A1 IRAK4 DEGRADATION AGENT, AND PREPARATION METHOD THEREFOR AND USE THEREOF Shanghai Leadingtac Pharmaceutical Co. Ltd. (CN) 2024-07-03 EP disclosed
WO-2024098053-A1 POLYMER-NUCLEIC ACID NANOPARTICLES FOR GENE EDITING THE JOHNS HOPKINS UNIVERSITY (US) 2024-05-10 WO disclosed
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same UNIV YALE (US) 2023-12-14 US disclosed
US-11827611-B2 Ubiquitin-specific peptidase 24 inhibitor, medicinal composition including the same and method of delaying or reversing multidrug resistance in cancers using the same NATIONAL CHENG KUNG UNIVERSITY (TW) 2023-11-28 US disclosed
US-20230321081-A1 MASITINIB FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER AB SCIENCE (FR) 2023-10-12 US disclosed
US-20230320995-A1 IONIZABLE CATIONIC LIPIDS AND LIPID NANOPARTICLES CAPSTAN THERAPEUTICS, INC. (US) 2023-10-12 US disclosed
EP-4257154-A1 BIOACTIVE SUBSTANCE CONJUGATE, PREPARATION METHOD THEREFOR AND USE THEREOF Medilink Therapeutics (Suzhou) Co., Ltd. (CN) 2023-10-11 EP disclosed
WO-2023192578-A1 PROTEIN DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2023-10-05 WO disclosed
US-11767312-B2 Phthalazinone compound, and preparation method therefor and medical use thereof GENENTECH, INC. (US) 2023-09-26 US disclosed
US-11767312-B2 Phthalazinone compound, and preparation method therefor and medical use thereof GENENTECH, INC. (US) 2023-09-26 US disclosed
US-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION WAKAMOTO PHARMACEUTICAL CO., LTD (JP) 2008-03-27 US disclosed
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands SCHERING CORPORATION 2008-02-21 US disclosed
US-20070249655-A1 4-Substituted-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones KESTELEYN BART R R 2007-10-25 US disclosed
US-20070249655-A1 4-Substituted-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones KESTELEYN BART R R 2007-10-25 US disclosed
EP-1820799-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION Wakamoto Pharmaceutical Co., Ltd. (JP) 2007-08-22 EP disclosed
US-7232825-B2 Phenylaminopyrimidine derivatives and methods of use CHEN GUOQING P 2007-06-19 US disclosed
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-22 US disclosed
JP-2005120014-A METHOD FOR PRODUCING ARYLMETHYLPIPERAZINE DERIVATIVE TORAY FINE CHEMICALS CO LTD 2005-05-12 JP disclosed
EP-0546583-B1 Piperazinyl-and piperidinyl-cyclohexanols BRISTOL MYERS SQUIBB CO (US) 1996-05-22 EP disclosed
EP-0546583-A1 Piperazinyl-and piperidinyl-cyclohexanols Bristol-Myers Squibb Company (US) 1993-06-16 EP 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 (9 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-20080076760-A1 2,3,4,5-TETRAHYDRO-1H-1,5-BENZODIAZEPINE DERIVATIVE AND MEDICINAL COMPOSITION GABRA5, GABRA1, GABRB1 GNAI3 1131/4885GNAO1 1472/4885GNAI1 988/4885
US-20070249655-A1 4-Substituted-1,5-Dihydro-Pyrido[3,2-B]Indol-2-Ones CYP8B1, CYP2S1, CYC1 GNAI3 4071/4885GNAO1 1526/4885GNAI1 3064/4885
US-20230321081-A1 MASITINIB FOR THE TREATMENT OF CASTRATE-RESISTANT PROSTATE CANCER ACP3, KLK3, PHKA1 GNAI3 828/4885GNAO1 1778/4885GNAI1 1112/4885
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors PLK2, CDK2, MAP3K15 GNAI3 1078/4885GNAO1 1463/4885GNAI1 1226/4885
US-20230320995-A1 IONIZABLE CATIONIC LIPIDS AND LIPID NANOPARTICLES PLTP, LNPEP, PLIN3 GNAI3 1283/4885GNAO1 2211/4885GNAI1 1986/4885
US-20080045568-A1 Novel high affinity quinoline-based kinase ligands CDKL2, CDK2, CDKL1 GNAI3 796/4885GNAO1 1565/4885GNAI1 757/4885
US-11767312-B2 Phthalazinone compound, and preparation method therefor and medical use thereof CYP17A1, AR, NR5A1 GNAI3 2458/4885GNAO1 1499/4885GNAI1 1503/4885
US-11827611-B2 Ubiquitin-specific peptidase 24 inhibitor, medicinal composition including the same and method of delaying or reversing multidrug resistance in cancers using the same USP24, USP47, USP39 GNAI3 2477/4885GNAO1 4394/4885GNAI1 1907/4885
US-20230399303-A1 Macrophage Migration Inhibitory Factor Inhibitors, and Methods of Making and Using Same MIF, MMP12, METAP1 GNAI3 2132/4885GNAO1 3817/4885GNAI1 2532/4885

“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.