SCHEMBL2114349

SCHEMBL2114349

NC1(I)CCc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 4/20 0.50
MAOB P27338 1/20 0.50
TSHR P16473 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
HTR2A P28223 1/20 0.40
HDAC9 Q9UKV0 1/20 0.38
ALDH1A1 P00352 1/20 0.38
TP53 P04637 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
SIGMAR1 Q99720 1/20 0.38

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
SCHEMBL9396129 0.88 KDM1A (0.56) KDM1AMAOBTSHRHTR2ATP53
SCHEMBL5369769 0.88 KDM1A (0.56) KDM1AMAOBTSHRHTR2ATP53
SCHEMBL6267106 0.77 KDM1A (0.53) KDM1AMAOBTSHRTDP1HTR2A
SCHEMBL29784907 0.77 KDM1A (0.53) KDM1AMAOBTSHRTDP1HTR2A
Hydrochloric Acid SCHEMBL29189207 0.76 KDM1A (0.52) KDM1AMAOBTSHRTDP1HTR2A
SCHEMBL23100760 0.74 KDM1A (0.46) KDM1AMAOBTSHRTDP1HTR2A
SCHEMBL788818 0.74 KDM1A (0.50) KDM1AMAOBTSHRTDP1HTR2A
SCHEMBL18088758 0.74 KDM1A (0.55) KDM1AMAOBTSHRTDP1HTR2A
SCHEMBL2464182 0.74 KDM1A (0.55) KDM1AMAOBTSHRTDP1HTR2A
SCHEMBL2147836 0.74 KDM1A (0.50) KDM1AMAOBTSHRTDP1HTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2630141-A1 CATHEPSIN S INHIBITOR COMPOUNDS Eli Lilly and Company (US) 2013-08-28 EP disclosed
US-8227468-B2 Cathepsin S inhibitor compounds ELI LILLY AND COMPANY (US) 2012-07-24 US disclosed
WO-2012054315-A1 CATHEPSIN S INHIBITOR COMPOUNDS ELI LILLY AND COMPANY (US) 2012-04-26 WO disclosed
US-20120095020-A1 Cathepsin S Inhibitor Compounds ELI LILLY AND COMPANY (US) 2012-04-19 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-20120095020-A1 Cathepsin S Inhibitor Compounds CTSS, CTSZ, CTSV KDM1A 2637/4885MAOB 776/4885TSHR 3249/4885

“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.