SCHEMBL926464

SCHEMBL926464

CCCNCCN1CCOCC1.[CH2]CC

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
KDM1A O60341 2/20 0.43
PAOX Q6QHF9 1/20 0.43
CYP2D6 P10635 1/20 0.43
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALDH1A1 P00352 3/20 0.42
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
HPGD P15428 1/20 0.40
DUSP3 P51452 1/20 0.40
ACE2 Q9BYF1 1/20 0.39
MAPK1 P28482 2/20 0.39
POLB P06746 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CHRM2 P08172 1/20 0.39
CHRM1 P11229 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
SCHEMBL13520192 0.94 TSHR (0.49) TSHRKDM1APAOXCYP2D6CA12
SCHEMBL4401738 0.84 CA12 (0.53) KDM1APAOXCA12CA1CA2
SCHEMBL13912969 0.83 PAOX (0.51) TSHRKDM1APAOXCYP2D6CA12
SCHEMBL3200520 0.83 PAOX (0.59) TSHRKDM1APAOXCYP2D6ALDH1A1
SCHEMBL39800 0.80 CA12 (0.47) TSHRKDM1APAOXCYP2D6CA12
SCHEMBL9557640 0.80 CA12 (0.47) KDM1APAOXCYP2D6CA12CA1
SCHEMBL18513274 0.80 PAOX (0.56) TSHRKDM1APAOXCYP2D6CA12
SCHEMBL18995662 0.80 PAOX (0.56) TSHRKDM1APAOXCYP2D6CA12
SCHEMBL7326838 0.80 PAOX (0.56) TSHRKDM1APAOXCYP2D6CA12
SCHEMBL26941306 0.80 PAOX (0.56) TSHRKDM1APAOXCYP2D6CA12

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-7875609-B2 3-(4-chlorophenyl)-1-(3,3-diphenylpropyl)-1-(2-morpholin-4-ylethyl)urea; treatment of the cancer of the parathyroid and the digestive tract; osteoporosis, osteopaenia and Paget's disease, rheumatoid arthritis and osteoarthritis GALAPAGOS SASU (FR) 2011-01-25 US disclosed
EP-1965805-B1 UREA DERIVATIVES USEFUL AS CALCIUM RECEPTOR MODULATORS GALAPAGOS SAS (FR) 2009-12-02 EP disclosed
EP-1965805-A1 UREA DERIVATIVES USEFUL AS CALCIUM RECEPTOR MODULATORS Proskelia SAS (FR) 2008-09-10 EP disclosed
US-20070179134-A1 Urea derivatives, processes for their preparation, their use as medicaments, and pharmaceutical compositions containing them PROSKELIA SAS. (FR) 2007-08-02 US disclosed
WO-2007060026-A1 UREA DERIVATIVES USEFUL AS CALCIUM RECEPTOR MODULATORS GALAPAGOS SAS (FR) 2007-05-31 WO 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-20070179134-A1 Urea derivatives, processes for their preparation, their use as medicaments, and pharmaceutical compositions containing them UTS2R, CACNA1A, CACNA1E TSHR 3371/4885KDM1A 1755/4885PAOX 4481/4885

“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.