SCHEMBL25305

SCHEMBL25305

O=C(c1ccccc1C(F)(F)F)N1CCNCC1

nearest known ligand 0.60

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.60
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
HTR2B P41595 1/20 0.58
MAPK14 Q16539 1/20 0.58
SCD O00767 5/20 0.55
MGLL Q99685 1/20 0.54
SIGMAR1 Q99720 1/20 0.54
HSD11B1 P28845 1/20 0.53
CHRM1 P11229 1/20 0.49
P2RX7 Q99572 1/20 0.48
GBA1 P04062 1/20 0.48
RBP4 P02753 1/20 0.47

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
SCHEMBL29943572 1.00 RXFP1 (0.60) RXFP1CYP2C9CYP2C19HTR2BMAPK14
Hydrochloric Acid SCHEMBL25425 0.98 RXFP1 (0.59) RXFP1CYP2C9CYP2C19HTR2BMAPK14
Trifluoroacetic Acid SCHEMBL27703342 0.94 CYP2C9 (0.56) RXFP1CYP2C9CYP2C19HTR2BMAPK14
Tert-Butyl Formate SCHEMBL27728669 0.88 RXFP1 (0.49) RXFP1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL3528330 0.87 P2RX7 (0.55) RXFP1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL6917875 0.87 RXFP1 (0.52) RXFP1CYP2C9CYP2C19HTR2BMAPK14
Hydrochloric Acid SCHEMBL3529996 0.85 P2RX7 (0.54) RXFP1CYP2C9CYP2C19HTR2BMAPK14
SCHEMBL10304326 0.84 CYP2C9 (0.60) CYP2C9CYP2C19HTR2BMAPK14SCD
SCHEMBL8253848 0.83 RXFP1 (0.77) RXFP1SIGMAR1
SCHEMBL938133 0.83 SLC6A2 (0.45) RXFP1CYP2C9CYP2C19HTR2BMAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3302465-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES Vertex Pharmaceuticals Incorporated (US) 2018-04-11 EP claimed
WO-2016197009-A1 TRIAZOLES FOR THE TREATMENT OF DEMYELINATING DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2016-12-08 WO claimed
EP-2099755-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS Glenmark Pharmaceuticals S.A. (CH) 2009-09-16 EP claimed
EP-2091951-A2 PYRIDO[2,3-B]PYRAZINE AND[1,8]-NAPHTYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2009-08-26 EP claimed
WO-2008062276-A2 ACETYLENE DERIVATIVES AS STEAROYL COA DESATURASE INHIBITORS GLENMARK PHARMACEUTICALS S.A. (US) 2008-05-29 WO claimed
WO-2007130468-A2 PYRIDO [2, 3-B] PYRAZINE AND [1, 8] -NAPHTHYRIDINE DERIVATIVES AS ALK AND C-MET INHIBITORS CEPHALON, INC. (US) 2007-11-15 WO claimed
US-20220411389-A1 COMPOUNDS AND METHODS FOR TREATING CANCER MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2022-12-29 US disclosed
US-11325892-B2 Compounds and methods for treating cancer MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2022-05-10 US disclosed
EP-3177292-B1 COMPOUNDS AND METHODS FOR TREATING CANCER MAYO FOUND MEDICAL EDUCATION & RES (US) 2020-11-25 EP disclosed
US-20190345123-A1 COMPOUNDS AND METHODS FOR TREATING CANCER MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2019-11-14 US disclosed
US-10301273-B2 Compounds and methods for treating cancer MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2019-05-28 US disclosed
US-20170226073-A1 COMPOUNDS AND METHODS FOR TREATING CANCER MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-08-10 US disclosed
US-20170226073-A1 COMPOUNDS AND METHODS FOR TREATING CANCER MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH (US) 2017-08-10 US disclosed
US-5883098-A USED AS TACHYKININ ANTAGONISTS IN THE TREATMENT OF RESPIRATORY DISEASES, OPHTHALMIC DISEASES AND INFLAMMATORY DISEASES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-03-16 US disclosed
US-5693804-A USEFUL IN TREATING NEOPLASTIC DISEASES, BACTERIAL OR FUNGAL INFECTIONS AND ALZHEIMER'S DISEASE MOLECULAR GERIATRICS CORPORATION (US) 1997-12-02 US disclosed
EP-0792269-A2 CERTAIN SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1997-09-03 EP disclosed
US-5658909-A INHIBITION OF ABNORMALLY PHOSPHORYLATED PAIRED HELICAL FILAMENT EPITOPE FORMATION MOLECULAR GERIATRICS CORPORATION (US) 1997-08-19 US disclosed
WO-1996015792-A9 METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE USING SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES 1996-09-12 WO disclosed
WO-1996016052-A2 CERTAIN SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1996-05-30 WO disclosed
WO-1996015792-A1 METHODS FOR TREATING OR PREVENTING ALZHEIMER'S DISEASE USING SUBSTITUTED 1-ARYL-3-PIPERAZIN-1'-YL PROPANONES MOLECULAR GERIATRICS CORPORATION (US) 1996-05-30 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 (5 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-11325892-B2 Compounds and methods for treating cancer SCD, CPT1B, CPT1A RXFP1 434/4885CYP2C9 1952/4885CYP2C19 2808/4885
US-20220411389-A1 COMPOUNDS AND METHODS FOR TREATING CANCER SCD, CPT1B, CPT1A RXFP1 434/4885CYP2C9 1952/4885CYP2C19 2808/4885
US-10301273-B2 Compounds and methods for treating cancer SCD, CPT1B, CPT1A RXFP1 434/4885CYP2C9 1952/4885CYP2C19 2808/4885
US-20170226073-A1 COMPOUNDS AND METHODS FOR TREATING CANCER SCD, CPT1B, CPT1A RXFP1 434/4885CYP2C9 1952/4885CYP2C19 2808/4885
US-20190345123-A1 COMPOUNDS AND METHODS FOR TREATING CANCER SCD, CPT1B, CPT1A RXFP1 434/4885CYP2C9 1952/4885CYP2C19 2808/4885

“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.