SCHEMBL254447

SCHEMBL254447

COCCC1CCN(C)CC1

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 1/20 0.48
ACHE P22303 3/20 0.40
HRH3 Q9Y5N1 2/20 0.39
AKR1C3 P42330 1/20 0.38
GNAI3 P08754 1/20 0.37
GNAO1 P09471 1/20 0.37
GNAI1 P63096 1/20 0.37
HTR4 Q13639 1/20 0.35
GBA1 P04062 1/20 0.34
KDM4E B2RXH2 1/20 0.33
MAPT P10636 1/20 0.33
HRH4 Q9H3N8 1/20 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
SCHEMBL14019505 0.89 NCF1 (0.41) NCF1ACHEHRH3AKR1C3GBA1
SCHEMBL23205159 0.89 HTR2A (0.40) NCF1ACHE
SCHEMBL22266331 0.88 NCF1 (0.42) NCF1ACHEHRH3AKR1C3GNAI3
SCHEMBL12886714 0.87 NCF1 (0.45) NCF1ACHEHRH3GNAI3GNAO1
SCHEMBL23205040 0.83 KDM1A (0.40) HRH3GNAO1
SCHEMBL20231120 0.81 NCF1 (0.39) NCF1ACHEHRH3GNAI3GNAO1
SCHEMBL15268260 0.80 NCF1 (0.52) NCF1ACHEHRH3GNAI3GNAO1
SCHEMBL21430669 0.80 NCF1 (0.46) NCF1ACHEHRH3GNAI3GNAO1
SCHEMBL13906706 0.80 AKR1C3 (0.37) AKR1C3GBA1
SCHEMBL25879936 0.80 AKR1C3 (0.40) AKR1C3GBA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240238473-A1 RECOMBINANT NUCLEIC ACID MOLECULES AND THEIR USE IN WOUND HEALING PRESIDENT AND FELLOWS OF HARVARD COLLEGE 2024-07-18 US disclosed
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides ARVINAS OPERATIONS, INC. (US) 2024-07-16 US disclosed
US-12037602-B2 Methods and compositions for modulating a genome FLAGSHIP PIONEERING INNOVATIONS VI, LLC (US) 2024-07-16 US disclosed
US-12031162-B2 Methods and compositions for modulating a genome FLAGSHIP PIONEERING INNOVATIONS VI, LLC (US) 2024-07-09 US disclosed
WO-2024112692-A1 CASITAS B-LINEAGE LYMPHOMA PROTOONCOGENE B (CBL-B) DEGRADING COMPOUNDS AND ASSOCIATED METHODS OF USE ARVINAS OPERATIONS, INC. (US) 2024-05-30 WO disclosed
WO-2024107445-A1 ENHANCEMENT OF THE EFFICACY OF SEROTONERGIC PSYCHEDELIC DRUGS IN THE TREATMENT OR PREVENTION OF CERTAIN NEUROPSYCHIATRIC DISORDERS THROUGH INHIBITION OF TYPE-9 PHOSPHODIESTERASES FREEDOM BIOSCIENCES, INC. (US) 2024-05-23 WO disclosed
EP-4327886-A2 PYRIMIDO- PYRIDAZINONE COMPOUNDS AND USE THEREOF Libertas Bio, Inc. (US) 2024-02-28 EP disclosed
US-20240018551-A1 METHODS AND COMPOSITIONS FOR MODULATING A GENOME FLAGSHIP PIONEERING INNOVATIONS VI, LLC 2024-01-18 US 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-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
US-7704996-B2 Compounds and compositions useful as cathepsin S inhibitors NOVARTIS AG (CH) 2010-04-27 US disclosed
WO-2009125870-A1 PYRIMIDINE, PYRIDINE AND TRIAZINE DERIVATIVES AS MAXI-K CHANNEL OPENERS. MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-10-15 WO disclosed
US-20090233901-A1 VLA-4 INHIBITORY DRUG DAIICHI SANKYO COMPANY, LIMITED (JP) 2009-09-17 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2009-02-19 US disclosed
US-20070149530-A1 For treatment of picornavirus infections in mammals BIOTA SCIENTIFIC MANAGEMENT PTY. LTD. (AU) 2007-06-28 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
US-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor JAPAN TOBACCO INC. (JP) 2007-03-01 US disclosed
WO-2006018284-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS NOVARTIS AG (CH) 2006-02-23 WO 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 (7 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-20070049593-A1 Tetracyclic fused heterocyclic compound and use thereof as HCV polymerase inhibitor POLI, TERT, ZC3HAV1 NCF1 544/4885ACHE 3981/4885HRH3 4130/4885
US-20070149530-A1 For treatment of picornavirus infections in mammals HAVCR2, EIF2AK2, MAVS NCF1 1270/4885ACHE 4873/4885HRH3 3960/4885
US-12036209-B2 Compounds and methods for the targeted degradation of Interleukin-1 receptor-associated kinase 4 polypeptides IRAK1, IRAK4, IRAK2 NCF1 1141/4885ACHE 4300/4885HRH3 2941/4885
US-20240238473-A1 RECOMBINANT NUCLEIC ACID MOLECULES AND THEIR USE IN WOUND HEALING CHI3L2, CHI3L1, FGF2 NCF1 339/4885ACHE 4640/4885HRH3 858/4885
US-11767312-B2 Phthalazinone compound, and preparation method therefor and medical use thereof CYP17A1, AR, NR5A1 NCF1 2310/4885ACHE 2983/4885HRH3 2433/4885
US-20090233901-A1 VLA-4 INHIBITORY DRUG VCAM1, ITGB4, ITGA4 NCF1 885/4885ACHE 4485/4885HRH3 247/4885
US-20090048230-A1 COMPOUNDS AND COMPOSITIONS USEFUL AS CATHEPSIN S INHIBITORS CTSS, CTSZ, CTSF NCF1 305/4885ACHE 1054/4885HRH3 894/4885

“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.