SCHEMBL14045495

SCHEMBL14045495

C[C@@]1(C(=O)O)C[C@@H]1c1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 17/20 0.53
MAOA P21397 16/20 0.53
MAOB P27338 16/20 0.53
MAPK1 P28482 1/20 0.47
CYP2C19 P33261 1/20 0.47
CHRM1 P11229 1/20 0.42

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
SCHEMBL13556691 1.00 KDM1A (0.53) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL15766923 1.00 KDM1A (0.53) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL3530324 1.00 KDM1A (0.53) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL15541000 1.00 KDM1A (0.53) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL23278434 0.86 KDM1A (0.52) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL15541944 0.85 KDM1A (0.55) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL15542258 0.85 KDM1A (0.55) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL6623618 0.85 KDM1A (0.55) KDM1AMAOAMAOBMAPK1CYP2C19
SCHEMBL16455153 0.83 KDM1A (0.44) KDM1AMAOAMAOB
SCHEMBL17984248 0.83 KDM1A (0.44) KDM1AMAOAMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF JAPAN TOBACCO INC. 2008-10-23 US disclosed
US-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof JAPAN TOBACCO INC. 2008-10-02 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 (2 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-20080242656-A1 N-Substituted-N-Sulfonylaminocyclopropane Compounds and Pharmaceutical Use Thereof MMP13, MMP11, MMP3 KDM1A 512/4885MAOA 1561/4885MAOB 1701/4885
US-20080261994-A1 CYCLOPROPANE COMPOUNDS AND PHARMACEUTICAL USE THEREOF MMP13, MMP9, MMP11 KDM1A 1248/4885MAOA 605/4885MAOB 836/4885

“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.