SCHEMBL25484875

SCHEMBL25484875

O=C(OCc1ccccc1)N1CCC(C[C@@H](O)CO)CC1

nearest known ligand 0.62

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 2/20 0.62
RAB9A P51151 2/20 0.62
CYP2C19 P33261 1/20 0.60
GRIN2B Q13224 10/20 0.57
CYP2D6 P10635 4/20 0.56
CYP2C9 P11712 4/20 0.56
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
CYP3A4 P08684 3/20 0.53
HTT P42858 1/20 0.51
FAAH O00519 1/20 0.49
PRMT5 O14744 1/20 0.47
WDR77 Q9BQA1 1/20 0.47
TPSAB1 Q15661 1/20 0.47
TPSD1 Q9BZJ3 1/20 0.47
TPSG1 Q9NRR2 1/20 0.47
ENPP2 Q13822 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
SCHEMBL25764647 1.00 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL25484871 0.89 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL25765088 0.87 SMN1; SMN2 (0.51) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL22284357 0.86 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL28663192 0.86 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL30101320 0.86 SMN1; SMN2 (0.62) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL13197107 0.85 SMN1; SMN2 (0.65) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL458805 0.84 SMN1; SMN2 (0.72) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL457683 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B
SCHEMBL9372495 0.84 SMN1; SMN2 (0.61) SMN1; SMN2NPC1RAB9ACYP2C19GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12162893-B2 Tricyclic pyridones and pyrimidones ERASCA, INC. (US) 2024-12-10 US disclosed
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 US disclosed
US-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-06-29 US disclosed
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-05-25 US disclosed
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-05-25 US disclosed
US-20230107642-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2023-04-06 US disclosed
EP-4076667-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES Erasca, Inc. (US) 2022-10-26 EP disclosed
WO-2022133345-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. (US) 2022-06-23 WO disclosed
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2022-04-21 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 (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-20230203063-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES TYMS, TYMP, DHFR SMN1; SMN2 1154/4885NPC1 3090/4885RAB9A 4165/4885
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES DHFR, TYMS, TYMP SMN1; SMN2 1205/4885NPC1 3126/4885RAB9A 4084/4885
US-20230107642-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES KRAS, NRAS, HRAS SMN1; SMN2 3697/4885NPC1 4522/4885RAB9A 302/4885
US-12162893-B2 Tricyclic pyridones and pyrimidones DHFR, TYMS, TYMP SMN1; SMN2 1205/4885NPC1 3126/4885RAB9A 4084/4885
US-20230159563-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES KRAS, NRAS, HRAS SMN1; SMN2 3697/4885NPC1 4522/4885RAB9A 302/4885

“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.