SCHEMBL1334701

SCHEMBL1334701

O=C(N1CCOCC1)N1C2CCC1CC(c1ccc(F)cc1)C2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
PKM P14618 1/20 0.46
SMN1; SMN2 Q16637 2/20 0.45
FAAH O00519 1/20 0.44
PHGDH O43175 1/20 0.44
SLC18A3 Q16572 2/20 0.43
SIGMAR1 Q99720 2/20 0.43
FKBP1A P62942 1/20 0.42
DRD2 P14416 3/20 0.41
DRD4 P21917 3/20 0.41
PRCP P42785 3/20 0.41
KCNH2 Q12809 2/20 0.41
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.40
EPHX2 P34913 1/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
HTR1A P08908 1/20 0.40
HTR2A P28223 1/20 0.40
HTR2C P28335 1/20 0.40

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
SCHEMBL12124064 1.00 AKR1C3 (0.51) AKR1C3PKMSMN1; SMN2FAAHPHGDH
SCHEMBL1335765 0.88 SIGMAR1 (0.46) FAAHSLC18A3SIGMAR1DRD2DRD4
SCHEMBL12124062 0.88 SIGMAR1 (0.46) FAAHSLC18A3SIGMAR1DRD2DRD4
SCHEMBL16015130 0.87 AKR1C3 (0.51) AKR1C3SMN1; SMN2FKBP1AALDH1A1
SCHEMBL12124042 0.86 SIGMAR1 (0.47) FAAHSLC18A3SIGMAR1DRD2DRD4
SCHEMBL1334110 0.86 SIGMAR1 (0.47) FAAHSLC18A3SIGMAR1DRD2DRD4
SCHEMBL1335733 0.85 SIGMAR1 (0.44) FAAHSLC18A3SIGMAR1DRD2DRD4
SCHEMBL12124066 0.85 SIGMAR1 (0.44) FAAHSLC18A3SIGMAR1DRD2DRD4
SCHEMBL19288133 0.84 NPC1 (0.44) SMN1; SMN2SLC18A3SIGMAR1DRD2DRD4
SCHEMBL1334059 0.83 SIGMAR1 (0.45) AKR1C3SLC18A3SIGMAR1DRD2DRD4

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 AKR1C3 291/4885PKM 1727/4885SMN1; SMN2 3768/4885

“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.