SCHEMBL3992124

SCHEMBL3992124

CC(C)(C)c1ccc(Oc2ccc3c(c2)CCN(C(=O)CC2CCCC2)C3)cc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MOGAT2 Q3SYC2 10/20 0.51
CNR2 P34972 2/20 0.48
NAMPT P43490 3/20 0.43
ESR2 Q92731 2/20 0.43
ESR1 P03372 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
ABHD6 Q9BV23 1/20 0.40
PRMT5 O14744 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
SCHEMBL3998544 0.96 CNR2 (0.48) MOGAT2CNR2NAMPTHRH3PRMT5
SCHEMBL3992628 0.86 NAMPT (0.48) MOGAT2NAMPTESR2ESR1HRH3
SCHEMBL31565984 0.77 CCR2 (0.44) MOGAT2NAMPTESR2ESR1ABHD6
SCHEMBL13498396 0.76 ENPP2 (0.47) NAMPTPRMT5
SCHEMBL31566094 0.75 ESR1 (0.43) ESR2ESR1ABHD6
SCHEMBL3994501 0.75 MAOB (0.48) MOGAT2NAMPTHRH3
SCHEMBL13498398 0.74 NAMPT (0.57) NAMPTPRMT5
SCHEMBL31565899 0.74 LIPE (0.41) NAMPTESR2ESR1ABHD6PRMT5
SCHEMBL31565954 0.74 NAMPT (0.44) NAMPTESR2ESR1
SCHEMBL31745785 0.73 ESR1 (0.50) ESR2ESR1ABHD6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 US claimed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US claimed
US-7544699-B2 Aryl and heteroaryl compounds, compositions, and methods of use TRANSTECH PHARMA, INC. (US) 2009-06-09 US disclosed
EP-1660439-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Transtech Pharma, Inc. (US) 2006-05-31 EP disclosed
US-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use VTVX HOLDINGS I LLC 2005-03-17 US disclosed
WO-2005014533-A2 ARYL AND HETEROARYL COMPOUNDS, COMPOSITIONS, AND METHODS OF USE TRANSTECH PHARMA, INC. (US) 2005-02-17 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-20050059705-A1 Aryl and heteroaryl compounds, compositions, and methods of use TFPI, F3, F2 MOGAT2 1675/4885CNR2 341/4885NAMPT 2768/4885

“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.