SCHEMBL1334033

SCHEMBL1334033

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

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.48
TDP1 Q9NUW8 1/20 0.48
KDM4E B2RXH2 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 2/20 0.46
DPP4 P27487 1/20 0.46
LMNA P02545 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
MAPT P10636 3/20 0.45
NPC1 O15118 1/20 0.45
RECQL P46063 1/20 0.45
CHRM1 P11229 1/20 0.44
LIPE Q05469 1/20 0.44

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
SCHEMBL12124070 1.00 ALDH1A1 (0.48) ALDH1A1TDP1KDM4EMEN1KMT2A
SCHEMBL16015132 0.91 POLB (0.52) ALDH1A1KDM4ETSHRLMNACYP3A4
SCHEMBL12124049 0.89 SLC6A3 (0.46) ALDH1A1SMN1; SMN2TSHRMAPTNPC1
SCHEMBL1334070 0.89 SLC6A3 (0.46) ALDH1A1SMN1; SMN2TSHRMAPTNPC1
SCHEMBL1334059 0.83 SIGMAR1 (0.45) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL12124048 0.83 SIGMAR1 (0.45) ALDH1A1KDM4EMEN1KMT2AMAPT
SCHEMBL12124068 0.82 KMT2A (0.48) ALDH1A1TDP1KDM4EKMT2ASMN1; SMN2
SCHEMBL1334012 0.82 KMT2A (0.48) ALDH1A1TDP1KDM4EKMT2ASMN1; SMN2
SCHEMBL19288133 0.82 NPC1 (0.44) KDM4EMEN1KMT2ASMN1; SMN2CYP2D6
SCHEMBL12124044 0.81 SIGMAR1 (0.41) MAPTNPC1CHRM1

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 ALDH1A1 125/4885TDP1 740/4885KDM4E 1942/4885

“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.