SCHEMBL418886

SCHEMBL418886

Brc1cncc(N2CCCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
HTR1A P08908 1/20 0.42
CYP2C9 P11712 1/20 0.42
HPGD P15428 1/20 0.42
HTR2C P28335 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
HSD17B10 Q99714 1/20 0.42
HTR6 P50406 1/20 0.40
CYP11B1 P15538 1/20 0.39
CYP11B2 P19099 1/20 0.39
PDE10A Q9Y233 3/20 0.38
CASP1 P29466 1/20 0.36
CASP4 P49662 1/20 0.36
CASP5 P51878 1/20 0.36

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
SCHEMBL25027553 0.96 HTR2A (0.42) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL419964 0.82 HTR3A (0.47) KDM4EALDH1A1CYP1A2HRH4
SCHEMBL5524143 0.82 ALDH1A1 (0.44) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL20460055 0.82 PIM2 (0.33) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL15401271 0.79 PIM2 (0.42) KDM4EALDH1A1HPGDHSD17B10PIM2
SCHEMBL12186828 0.79 CYP1A2 (0.42) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL939716 0.75 ALDH1A1 (0.70) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL9885016 0.75 PDE10A (0.47) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL18708528 0.75 HRH4 (0.45) HTR2AKDM4EMEN1ALDH1A1CYP1A2
SCHEMBL31015264 0.75 SMPD3 (0.39) HTR2AKDM4EMEN1ALDH1A1CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250002475-A1 PIPERIDINE DERIVATIVES AS METTL3 INHIBITORS EPICS THERAPEUTICS (BE) 2025-01-02 US disclosed
US-12091400-B2 Piperidine derivatives as METTL3 inhibitors EPICS THERAPEUTICS (BE) 2024-09-17 US disclosed
US-20240270716-A1 PIPERIDINE DERIVATIVES AS METTL3 INHIBITORS EPICS THERAPEUTICS (BE) 2024-08-15 US disclosed
US-11261200-B2 Heteroaryltrifluoroborate compounds for the treatment of mycobacterial infections THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2022-03-01 US disclosed
CN-113620981-A Heteroaryl trifluoroborate compounds for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2021-11-09 CN disclosed
CN-110035661-B Heteroaryl trifluoroborate compounds for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2021-09-10 CN disclosed
CN-108137561-B Indolin-2-one derivatives 豪夫迈·罗氏有限公司 2021-03-26 CN disclosed
EP-3371174-B1 INDOLIN-2-ONE DERIVATIVES HOFFMANN LA ROCHE (CH) 2021-03-17 EP disclosed
US-20190276478-A1 HETEROARYLTRIFLUOROBORATE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC 2019-09-12 US disclosed
US-20190276478-A1 HETEROARYLTRIFLUOROBORATE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC 2019-09-12 US disclosed
CN-110035661-A Heteroaryl trifluoroborate compounds for the treatment of mycobacterial infections 结核病药物开发全球联盟公司 2019-07-19 CN disclosed
US-20180251450-A1 INDOLIN-2-ONE DERIVATIVES HOFFMANN-LA ROCHE INC. (US) 2018-09-06 US disclosed
CN-108137561-A Indolin-2-one derivative 豪夫迈·罗氏有限公司 2018-06-08 CN disclosed
WO-2018067762-A2 HETEROARYLTRIFLUOROBORATE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS THE GLOBAL ALLIANCE FOR TB DRUG DEVELOPMENT, INC. (US) 2018-04-12 WO disclosed
US-8404670-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2013-03-26 US disclosed
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2012-01-26 US disclosed
EP-2396327-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF Sunovion Pharmaceuticals Inc. (US) 2011-12-21 EP disclosed
US-8063032-B2 Histamine H3 inverse agonists and antagonists and methods of use thereof SUNOVION PHARMACEUTICALS INC. (US) 2011-11-22 US disclosed
WO-2010093425-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SEPRACOR INC. (US) 2010-08-19 WO disclosed
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. 2010-08-12 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 (8 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-20240270716-A1 PIPERIDINE DERIVATIVES AS METTL3 INHIBITORS METTL3, METTL16, DIMT1 HTR2A 893/4885KDM4E 872/4885MEN1 1196/4885
US-20250002475-A1 PIPERIDINE DERIVATIVES AS METTL3 INHIBITORS METTL3, METTL16, DIMT1 HTR2A 893/4885KDM4E 872/4885MEN1 1196/4885
US-20180251450-A1 INDOLIN-2-ONE DERIVATIVES GRIN2B, GRIN2A, TPH2 HTR2A 12/4885KDM4E 4207/4885MEN1 1532/4885
US-11261200-B2 Heteroaryltrifluoroborate compounds for the treatment of mycobacterial infections FNTB, CYP2F1, SDHB HTR2A 4644/4885KDM4E 3825/4885MEN1 2569/4885
US-20100204214-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HTR2A 88/4885KDM4E 1889/4885MEN1 1057/4885
US-20120022050-A1 HISTAMINE H3 INVERSE AGONISTS AND ANTAGONISTS AND METHODS OF USE THEREOF HRH3, HRH4, HRH2 HTR2A 88/4885KDM4E 1889/4885MEN1 1057/4885
US-12091400-B2 Piperidine derivatives as METTL3 inhibitors METTL3, METTL16, DIMT1 HTR2A 893/4885KDM4E 872/4885MEN1 1196/4885
US-20190276478-A1 HETEROARYLTRIFLUOROBORATE COMPOUNDS FOR THE TREATMENT OF MYCOBACTERIAL INFECTIONS FNTB, CYP2F1, SDHB HTR2A 4644/4885KDM4E 3825/4885MEN1 2569/4885

“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.