SCHEMBL23959626

SCHEMBL23959626

C[C@H]1CN(C(=O)c2nn(CC(=O)N3CCC(Oc4ccc(Cl)cc4)CC3)c3c2CCC3)CCO1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.43
CNR1 P21554 5/20 0.40
KCNH2 Q12809 2/20 0.39
MCHR1 Q99705 2/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
POLB P06746 1/20 0.36
PIK3CD O00329 1/20 0.36
PIK3R2 O00459 1/20 0.36
PIK3CA P42336 1/20 0.36
PIK3CB P42338 1/20 0.36
PIK3CG P48736 1/20 0.36
PIK3R5 Q8WYR1 1/20 0.36
PIK3R3 Q92569 1/20 0.36
ALOX15 P16050 1/20 0.36
EPHX2 P34913 1/20 0.35

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
SCHEMBL23959556 0.93 KMT2A (0.44) KMT2AKCNH2MCHR1KDM4EPOLB
SCHEMBL21752663 0.93 KMT2A (0.51) KMT2ACNR1KCNH2MCHR1KDM4E
SCHEMBL23959594 0.92 KMT2A (0.43) KMT2ACNR1KCNH2MCHR1KDM4E
SCHEMBL23959580 0.91 CNR1 (0.42) KMT2ACNR1PIK3CDPIK3R2PIK3CA
SCHEMBL23959560 0.90 LIPE (0.43) KMT2ACNR1KDM4ESMN1; SMN2POLB
SCHEMBL23959602 0.90 KMT2A (0.40) KMT2ACNR1POLBPIK3CDPIK3R2
SCHEMBL23959539 0.87 KDM4E (0.41) KMT2AKCNH2MCHR1KDM4EALDH1A1
SCHEMBL23959578 0.86 MLNR (0.43) KMT2ACNR1PIK3CDPIK3R2PIK3CA
SCHEMBL21752604 0.85 KMT2A (0.52) KMT2AKCNH2MCHR1ALDH1A1POLB
SCHEMBL21752700 0.85 KMT2A (0.51) KMT2AKCNH2MCHR1KDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS MERCK SHARP & DOHME CORP. (US) 2021-10-28 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 (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-20210330676-A1 NOVEL ARYLOXYPIPERIDINE PYRAZOLE COMPOUNDS AS INDOLEAMINE 2,3-DIOXYGENASE INHIBITORS IDO1, IDO2, KYNU KMT2A 1461/4885CNR1 1075/4885KCNH2 3856/4885

“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.