SCHEMBL19973543

SCHEMBL19973543

O=C(OCc1ccccn1)n1ccnc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.50
NPC1 O15118 5/20 0.50
RAB9A P51151 5/20 0.50
CYP3A4 P08684 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP1A2 P05177 2/20 0.50
LMNA P02545 1/20 0.50
PARP10 Q53GL7 1/20 0.43
MAPT P10636 3/20 0.43
PGR P06401 1/20 0.43
ADORA3 P0DMS8 1/20 0.43
PTGS1 P23219 1/20 0.43
SLC6A2 P23975 1/20 0.43
TBXAS1 P24557 1/20 0.43
ALDH1A1 P00352 3/20 0.42
KDM4E B2RXH2 2/20 0.42
HPGD P15428 2/20 0.39
CASP3 P42574 2/20 0.39
SENP8 Q96LD8 2/20 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
SCHEMBL19973625 0.86 CA12 (0.50) SMN1; SMN2NPC1RAB9ACYP3A4CYP2D6
SCHEMBL19973569 0.84 NAMPT (0.37) SMN1; SMN2NPC1RAB9ACYP3A4CYP2D6
SCHEMBL19973455 0.83 TBXAS1 (0.42) CYP3A4CYP2D6CYP2C9CYP1A2ADORA3
SCHEMBL19973969 0.82 TBXAS1 (0.35) SMN1; SMN2NPC1RAB9ACYP3A4CYP2D6
SCHEMBL432657 0.82 KMT2A (0.49) SMN1; SMN2NPC1RAB9ACYP3A4CYP2D6
SCHEMBL19974007 0.81 NR1I2 (0.41) SMN1; SMN2NPC1RAB9AMAPTADORA3
SCHEMBL19973989 0.81 NPC1 (0.42) SMN1; SMN2NPC1RAB9AMAPTADORA3
SCHEMBL26597522 0.81 FAAH (0.35) CYP3A4CYP2D6CYP2C9CYP1A2TBXAS1
SCHEMBL20509607 0.80 PDE10A (0.47) CYP1A2
SCHEMBL19973954 0.79 DPP4 (0.43) SMN1; SMN2CYP3A4CYP1A2LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112638376-B Substituted tetrahydrocyclopenta [ c ] pyrroles, substituted dihydropyrrolidines, analogs thereof, and methods of use thereof 爱彼特生物制药公司 2024-08-02 CN 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
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-11566002-B2 Substituted tetrahydrocyclopenta[C]pyrroles, substituted dihydropyrrolizines, analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2023-01-31 US disclosed
US-11566002-B2 Substituted tetrahydrocyclopenta[C]pyrroles, substituted dihydropyrrolizines, analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2023-01-31 US disclosed
EP-3842437-A1 HIGH ACTIVITY STING PROTEIN AGONIST Adlai Nortye Biopharma Co., Ltd. (CN) 2021-06-30 EP disclosed
US-20210179557-A1 SUBSTITUTED TETRAHYDROCYCLOPENTA[C]PYRROLES, SUBSTITUTED DIHYDROPYRROLIZINES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-06-17 US disclosed
US-20210179557-A1 SUBSTITUTED TETRAHYDROCYCLOPENTA[C]PYRROLES, SUBSTITUTED DIHYDROPYRROLIZINES, ANALOGUES THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2021-06-17 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-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same ARBUTUS BIOPHARMA CORPORATION (CA) 2021-05-11 US disclosed
CN-112638376-A Substituted tetrahydrocyclopenta [ c ] pyrroles, substituted dihydropyrrolizines, analogs thereof and methods of use thereof 爱彼特生物制药公司 2021-04-09 CN disclosed
WO-2020038387-A1 HIGH ACTIVITY STING PROTEIN AGONIST 杭州阿诺生物医药科技有限公司 2020-02-27 WO disclosed
EP-3601216-A1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME Arbutus Biopharma Corporation (CA) 2020-02-05 EP 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-2018172852-A1 SUBSTITUTED DIHYDROINDENE-4-CARBOXAMIDES AND ANALOGS THEREOF, AND METHODS USING SAME ARBUTUS BIOPHARMA CORPORATION (CA) 2018-09-27 WO 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 (4 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 SMN1; SMN2 3837/4885NPC1 983/4885RAB9A 1393/4885
US-20210179557-A1 SUBSTITUTED TETRAHYDROCYCLOPENTA[C]PYRROLES, SUBSTITUTED DIHYDROPYRROLIZINES, ANALOGUES THEREOF, AND METHODS USING SAME DHPS, HMBS, HAVCR2 SMN1; SMN2 4693/4885NPC1 667/4885RAB9A 863/4885
US-11001564-B2 Substituted chromane-8-carboxamide compounds and analogues thereof, and methods using same CBX8, HAVCR2, HCCS SMN1; SMN2 3837/4885NPC1 983/4885RAB9A 1393/4885
US-11566002-B2 Substituted tetrahydrocyclopenta[C]pyrroles, substituted dihydropyrrolizines, analogues thereof, and methods using same DHPS, HMBS, HAVCR2 SMN1; SMN2 4693/4885NPC1 667/4885RAB9A 863/4885

“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.