SCHEMBL23123726

SCHEMBL23123726

C[C@@H]1COC[C@H](c2ccc(F)cc2)N1

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.33
KCNH2 Q12809 1/20 0.33
METTL3 Q86U44 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
ATM Q13315 1/20 0.32
CA1 P00915 1/20 0.31
TSHR P16473 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
IDO1 P14902 1/20 0.31
TDO2 P48775 1/20 0.31
RECQL P46063 1/20 0.31
FPR2 P25090 1/20 0.31

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
SCHEMBL24700455 1.00 KDM1A (0.33) KDM1AKCNH2METTL3TDP1ATM
SCHEMBL24700456 1.00 KDM1A (0.33) KDM1AKCNH2METTL3TDP1ATM
SCHEMBL23123313 1.00 KDM1A (0.33) KDM1AKCNH2METTL3TDP1ATM
SCHEMBL25331982 0.82 DGAT1 (0.36) KDM1AKCNH2METTL3TDP1TSHR
SCHEMBL25331985 0.82 DGAT1 (0.36) KDM1AKCNH2METTL3TDP1TSHR
SCHEMBL7294639 0.81 SMN1; SMN2 (0.41) METTL3TSHR
SCHEMBL8128459 0.81 SMN1; SMN2 (0.41) METTL3TSHR
SCHEMBL23522762 0.81 HTR2C (0.40) KDM1ACA1
SCHEMBL24540920 0.81 HTR2C (0.40) KDM1ACA1
SCHEMBL23522761 0.81 HTR2C (0.40) KDM1ACA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
US-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL R&D INVEST S A (PT) 2022-12-01 US disclosed
CN-114901652-A Substituted saturated and unsaturated N-heterocyclic carboxamides and related compounds for the treatment of medical disorders 比亚尔R&D投资股份公司 2022-08-12 CN disclosed
EP-4031540-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS Bial-R&D Investments, S.A. (PT) 2022-07-27 EP disclosed
WO-2021055630-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS BIAL- BIOTECH INVESTMENTS, INC. (US) 2021-03-25 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 (1 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-20220380314-A1 SUBSTITUTED, SATURATED AND UNSATURATED N-HETEROCYCLIC CARBOXAMIDES AND RELATED COMPOUNDS FOR THEIR USE IN THE TREATMENT OF MEDICAL DISORDERS GBA1, GBA2, CLN6 KDM1A 1731/4885KCNH2 3659/4885METTL3 4075/4885

“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.