SCHEMBL19973455

SCHEMBL19973455

O=C(OCc1ncccn1)n1ccnc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.42
CYP1A2 P05177 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP19A1 P11511 1/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
FAAH O00519 4/20 0.34
MGLL Q99685 3/20 0.34
AHR P35869 1/20 0.33
NR1I2 O75469 1/20 0.33
NR3C1 P04150 1/20 0.33
HTR1A P08908 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CNR1 P21554 1/20 0.33
TBXA2R P21731 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL19973543 0.83 SMN1; SMN2 (0.50) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL19973598 0.82 TBXAS1 (0.42) TBXAS1CYP1A2CYP2D6CYP2C9AHR
SCHEMBL20511939 0.81 CYP1A2 (0.36) TBXAS1CYP1A2CYP2D6CYP2C9AHR
SCHEMBL432657 0.79 KMT2A (0.49) CYP3A4CYP2D6CYP2C9CYP19A1CYP11B1
SCHEMBL20509614 0.79 TBXAS1 (0.42) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL1621471 0.77 CYP19A1 (0.42) TBXAS1CYP3A4CYP2D6CYP2C9CYP19A1
SCHEMBL19973969 0.77 TBXAS1 (0.35) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9
SCHEMBL12016623 0.77 ALDH1A1 (0.39) TBXAS1CYP1A2CYP2D6CYP2C9AHR
SCHEMBL23516637 0.77 POLB (0.32) TBXAS1CYP1A2CYP2D6CYP2C9AHR
SCHEMBL20509898 0.76 CYP3A4 (0.35) TBXAS1CYP1A2CYP3A4CYP2D6CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601216-B1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION ARBUTUS BIOPHARMA CORP (CA) 2023-10-25 EP disclosed
EP-3601216-B1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME FOR THE TREATMENT OF HEPATITIS B VIRUS INFECTION ARBUTUS BIOPHARMA CORP (CA) 2023-10-25 EP disclosed
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-11 US disclosed
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-11 US disclosed
US-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2019-07-25 US disclosed
US-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORP (CA) 2019-07-25 US disclosed
WO-2018052967-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA, INC. (US) 2018-03-22 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 (2 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-20190225593-A1 SUBSTITUTED CHROMANE-8-CARBOXAMIDE COMPOUNDS AND ANALOGUES THEREOF, AND METHODS USING SAME CBX8, HAVCR2, HCCS TBXAS1 1874/4885CYP1A2 530/4885CYP3A4 269/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS TBXAS1 1874/4885CYP1A2 530/4885CYP3A4 269/4885

“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.