SCHEMBL3465075

SCHEMBL3465075

Cc1cc(C(F)(F)F)nn1CC(=O)N1CCC(c2nc(C(=O)NC3CCCc4ccccc43)cs2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.44
CNR1 P21554 2/20 0.41
CNR2 P34972 1/20 0.41
GAA P10253 1/20 0.41
LMNA P02545 4/20 0.41
MEN1 O00255 1/20 0.41
POLB P06746 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41
ALDH1A1 P00352 4/20 0.40
KDM4E B2RXH2 3/20 0.40
TAS1R3 Q7RTX0 2/20 0.39
TAS1R1 Q7RTX1 2/20 0.39
HTT P42858 1/20 0.39
TAS1R2 Q8TE23 1/20 0.39
USP2 O75604 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 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
SCHEMBL3465072 1.00 TSHR (0.44) TSHRCNR1CNR2GAALMNA
SCHEMBL2638245 0.93 GAA (0.40) TSHRCNR1CNR2GAALMNA
SCHEMBL16553136 0.91 TSHR (0.41) TSHRCNR1CNR2GAALMNA
SCHEMBL16824567 0.90 GAA (0.40) TSHRCNR1CNR2GAALMNA
SCHEMBL6114810 0.89 GAA (0.41) TSHRGAAPOLBSMN1; SMN2KDM4E
SCHEMBL1765070 0.87 GAA (0.41) TSHRGAALMNAPOLBSMN1; SMN2
SCHEMBL4566459 0.87 GAA (0.43) TSHRGAALMNAMEN1POLB
SCHEMBL1765072 0.87 GAA (0.41) TSHRGAALMNAPOLBSMN1; SMN2
SCHEMBL12473450 0.87 CNR1 (0.43) TSHRCNR1CNR2GAALMNA
SCHEMBL3134752 0.87 GAA (0.43) TSHRGAALMNAMEN1POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130197276-A1 ALKOXYLATES OF HYDROGENATED FARNESOLS AND USE THEREOF BALDENIUS, KAI-UWE (DE) 2013-08-01 US disclosed
US-20130197275-A1 ALKOXYLATES OF OPTIONALLY HYDROGENATED FARNESOLS AND USE THEREOF BASF SE (DE) 2013-08-01 US disclosed
US-8426631-B2 Fungicidal compounds, method for the production thereof, and use thereof to combat damaging fungi, and agents comprising the same BASF SE (DE) 2013-04-23 US disclosed
EP-2465350-A1 Pesticidal mixtures BASF SE (DE) 2012-06-20 EP disclosed
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-12-16 US disclosed
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same BASF SE (DE) 2010-12-02 US disclosed
US-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same BASF SE (DE) 2010-10-28 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 (5 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-20130197276-A1 ALKOXYLATES OF HYDROGENATED FARNESOLS AND USE THEREOF ALKBH3, AKR7A2, FDPS TSHR 2517/4885CNR1 2087/4885CNR2 1752/4885
US-20100317515-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, NOX5, TET1 TSHR 3328/4885CNR1 1411/4885CNR2 1017/4885
US-20130197275-A1 ALKOXYLATES OF OPTIONALLY HYDROGENATED FARNESOLS AND USE THEREOF ALKBH3, ALK, PAOX TSHR 2003/4885CNR1 2194/4885CNR2 1304/4885
US-20100273651-A1 Azolylmethyloxiranes, use Thereof and Agents Containing the Same XDH, SQOR, NOX5 TSHR 4030/4885CNR1 1622/4885CNR2 1260/4885
US-20100304966-A1 Fungicidal Compounds, Method For the Production Thereof, And Use Thereof To Combat Damaging Fungi, And Agents Comprising The Same CYP51A1, ERG28, CAT TSHR 4645/4885CNR1 4237/4885CNR2 4365/4885

“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.