SCHEMBL25455147

SCHEMBL25455147

O=C(N([C@H]1COC2(CCNCC2)C1)[C@@H]1C[C@H]1c1ccccc1)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.35
NAMPT P43490 2/20 0.35
OPRD1 P41143 4/20 0.34
KDM1A O60341 3/20 0.34
MAOB P27338 2/20 0.34
SSTR1 P30872 1/20 0.33
SSTR4 P31391 1/20 0.33
MAOA P21397 1/20 0.32
CYP2D6 P10635 3/20 0.31
KCNH2 Q12809 3/20 0.31
TACR1 P25103 3/20 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
SCHEMBL25455143 1.00 MGLL (0.35) MGLLNAMPTOPRD1KDM1AMAOB
SCHEMBL21843313 1.00 MGLL (0.35) MGLLNAMPTOPRD1KDM1AMAOB
SCHEMBL23653316 0.90 MAOA (0.33) NAMPTOPRD1KDM1AMAOBSSTR1
SCHEMBL21843460 0.90 MAOA (0.33) MGLLKDM1ASSTR1SSTR4MAOA
SCHEMBL23178069 0.84 MGLL (0.38) MGLLKDM1AMAOA
SCHEMBL21843468 0.81 KDM1A (0.34) KDM1AMAOBSSTR1SSTR4MAOA
SCHEMBL21843369 0.81 MGLL (0.47) MGLLTACR1
SCHEMBL25455144 0.81 MGLL (0.47) MGLLTACR1
SCHEMBL21843360 0.81 POLB (0.43) MGLLKDM1AMAOBKCNH2
SCHEMBL21843333 0.80 MGLL (0.35) MGLL

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-11649245-B2 Cyclopropylamine compound as LSD1 inhibitor and use thereof HELIOEAST PHARMACEUTICAL CO., LTD. (CN) 2023-05-16 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-11649245-B2 Cyclopropylamine compound as LSD1 inhibitor and use thereof KDM1B, KDM1A, KDM7A MGLL 2660/4885NAMPT 1266/4885OPRD1 3499/4885

“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.