SCHEMBL1334012

SCHEMBL1334012

NC(=O)C1CCN(C(=O)N2C3CCC2CC(c2ccc(F)cc2)C3)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.48
PARP10 Q53GL7 1/20 0.42
SIGMAR1 Q99720 3/20 0.42
SLC18A3 Q16572 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
GFER P55789 1/20 0.41
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C19 P33261 1/20 0.40
HSD11B1 P28845 1/20 0.40
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
GAA P10253 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
DRD2 P14416 3/20 0.39
DRD4 P21917 3/20 0.39
HTR1A P08908 1/20 0.39

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
SCHEMBL12124068 1.00 KMT2A (0.48) KMT2APARP10SIGMAR1SLC18A3SMN1; SMN2
SCHEMBL12124048 0.89 SIGMAR1 (0.45) KMT2ASIGMAR1SLC18A3ALDH1A1HSD11B1
SCHEMBL1334059 0.89 SIGMAR1 (0.45) KMT2ASIGMAR1SLC18A3ALDH1A1HSD11B1
SCHEMBL16015137 0.88 TSHR (0.51) KMT2ASMN1; SMN2ALDH1A1LMNAGFER
SCHEMBL1335733 0.86 SIGMAR1 (0.44) KMT2APARP10SIGMAR1SLC18A3ALDH1A1
SCHEMBL12124066 0.86 SIGMAR1 (0.44) KMT2APARP10SIGMAR1SLC18A3ALDH1A1
SCHEMBL12124062 0.85 SIGMAR1 (0.46) KMT2ASIGMAR1SLC18A3ALDH1A1NPC1
SCHEMBL1335765 0.85 SIGMAR1 (0.46) KMT2ASIGMAR1SLC18A3ALDH1A1NPC1
SCHEMBL19288133 0.85 NPC1 (0.44) KMT2ASIGMAR1SLC18A3SMN1; SMN2NPC1
SCHEMBL1334070 0.84 SLC6A3 (0.46) SMN1; SMN2ALDH1A1NPC1RAB9AGAA

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-8829027-B2 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US claimed
EP-2350068-B1 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-08-30 EP disclosed
EP-2350068-B1 UREA DERIVATIVES OF SUBSTITUTED NORTROPANES, MEDICAMENTS CONTAINING SUCH COMPOUNDS AND THEIR USE BOEHRINGER INGELHEIM INT (DE) 2017-08-30 EP disclosed
US-8829027-B2 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-09-09 US disclosed
US-20110275595-A1 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-11-10 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-20110275595-A1 Urea derivatives of substituted nortropanes, medicaments containing such compounds and their use HSD11B1, HSD3B1, HSD11B2 KMT2A 3227/4885PARP10 2712/4885SIGMAR1 46/4885

“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.