SCHEMBL188325

SCHEMBL188325

CN1CCN(C(=O)C(C)(C)C)CC1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44
HTR1A P08908 1/20 0.43
RIPK1 Q13546 1/20 0.42
CHRM1 P11229 3/20 0.40
CHRM3 P20309 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
CHRM4 P08173 1/20 0.40
CHRM5 P08912 1/20 0.40
HTT P42858 1/20 0.39
HSD11B1 P28845 1/20 0.39
PHGDH O43175 1/20 0.39
MGLL Q99685 1/20 0.39

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
SCHEMBL18792500 0.93 CYP1A2 (0.48) CYP1A2TDP1MEN1KMT2AHPGD
SCHEMBL24339467 0.91 HTT (0.52) CYP1A2TDP1MEN1KMT2AHPGD
SCHEMBL673083 0.89
SCHEMBL10722471 0.89 MEN1 (0.52) MEN1KMT2ARIPK1HDAC6HTT
SCHEMBL26551072 0.83 GAA (0.48) CYP1A2TDP1MEN1KMT2AALOX15
SCHEMBL15966375 0.83 CYP1A2 (0.52) CYP1A2TDP1HPGDALOX15HTR1A
SCHEMBL14013018 0.83 CYP1A2 (0.52) CYP1A2TDP1HPGDALOX15HTR1A
SCHEMBL18390213 0.81 CYP1A2 (0.50) CYP1A2TDP1HPGDALOX15HTR1A
SCHEMBL2171890 0.81 CYP1A2 (0.50) CYP1A2TDP1HPGDALOX15HTR1A
SCHEMBL24339766 0.81 RIPK1 (0.51) CYP1A2TDP1MEN1KMT2ARIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240398812-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE CARAWAY THERAPEUTICS, INC. (US) 2024-12-05 US disclosed
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF NOVARTIS AG (CH) 2024-07-04 US disclosed
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 US disclosed
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 US disclosed
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF COUNCIL OF SCIENTIFIC & INDUSTRIAL RESEARCH (IN) 2023-11-09 US disclosed
US-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF BEIJING GREATWAY PHARMACEUTICAL TECHNOLOGY CO. LTD. (CN) 2023-11-02 US disclosed
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof GENENTECH, INC. (US) 2023-10-24 US disclosed
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors IRM LLC (BM) 2007-06-28 US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-7223738-B2 Inhibitors of Akt activity MERCK & CO., INC. (US) 2007-05-29 US disclosed
US-7205324-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-7205324-B2 Inhibitors of IMPDH enzyme BRISTOL-MYERS SQUIBB COMPANY (US) 2007-04-17 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
US-7169936-B2 Indolinone derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-30 US disclosed
US-7169936-B2 Indolinone derivatives substituted in the 6-position, their preparation and their use as medicaments BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2007-01-30 US disclosed
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS ROTH GERALD J 2007-01-04 US disclosed
US-20050159469-A1 HIV protease inhibiting compounds ABBVIE INC. 2005-07-21 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 (10 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-20230348493-A1 COMPOUND FOR ADJUSTING ACTIVITY OF NMDA RECEPTOR, AND PHARMACEUTICAL COMPOSITION AND USE THEREOF GRIN1, GRIN3A, GRIN2C CYP1A2 3272/4885TDP1 1519/4885MEN1 2143/4885
US-20230357165-A1 QUINAZOLINONES DERIVATIVES FOR TREATMENT OF NON-ALCOHOLIC FATTY LIVER DISEASE, PREPARATION AND USE THEREOF ATG7, GOT1, LIPC CYP1A2 362/4885TDP1 985/4885MEN1 3700/4885
US-20070004757-A1 INDOLINE DERIVATIVES SUBSTITUTED IN THE 6 POSITION, THEIR PREPARATION AND THEIR USE AS MEDICAMENTS KDR, FLT1, EGFR CYP1A2 1517/4885TDP1 1525/4885MEN1 1093/4885
US-20240398812-A1 MODULATORS OF TRPML, THEIR COMPOSITIONS AND METHODS OF USE MCOLN1, PKD2, MCOLN3 CYP1A2 4811/4885TDP1 2397/4885MEN1 629/4885
US-11795170-B2 Therapeutic compounds, compositions and methods of use thereof JAK2, JAK1, JAK3 CYP1A2 2348/4885TDP1 3138/4885MEN1 983/4885
US-20050159469-A1 HIV protease inhibiting compounds SERPINB1, HPN, DNPEP CYP1A2 2459/4885TDP1 2094/4885MEN1 4515/4885
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 CYP1A2 4703/4885TDP1 578/4885MEN1 3336/4885
US-20240216378-A1 TRIAZOLOPYRIMIDINE COMPOUNDS AND USES THEREOF EZH2, DOT1L, EED CYP1A2 2702/4885TDP1 585/4885MEN1 1351/4885
US-20070149538-A1 Diarylamine-Containing Compounds and Compositions, and their use as Modulators of C-Kit Receptors KIT, PRKCH, PRKCE CYP1A2 3547/4885TDP1 2495/4885MEN1 2421/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 CYP1A2 2310/4885TDP1 891/4885MEN1 3348/4885

“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.