SCHEMBL3810068

SCHEMBL3810068

Nc1ccc(C2CCN(C(=O)C3CCCC3)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.54
ALDH1A1 P00352 1/20 0.50
TSHR P16473 1/20 0.50
DGAT1 O75907 1/20 0.50
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
CCR5 P51681 3/20 0.47
PTPN1 P18031 1/20 0.46
NAMPT P43490 2/20 0.45
FASN P49327 1/20 0.43
CNR1 P21554 1/20 0.43
CNR2 P34972 1/20 0.43
HTR2B P41595 1/20 0.43
CCR1 P32246 1/20 0.43
RIPK1 Q13546 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
SLC9A1 P19634 1/20 0.43

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
SCHEMBL3634211 0.94 SLC18A3 (0.49) SLC18A3ALDH1A1DGAT1NAMPTCNR1
SCHEMBL3304712 0.88 HPGD (0.55) SLC18A3ALDH1A1TSHRKMT2AMEN1
SCHEMBL520567 0.87 NAMPT (0.55) SLC18A3NAMPT
SCHEMBL3816677 0.86 SLC18A3 (0.46) SLC18A3DGAT1NAMPTHTR2B
SCHEMBL3303482 0.85 DGAT1 (0.48) SLC18A3ALDH1A1DGAT1NAMPTCNR1
SCHEMBL3809829 0.85 SLC18A3 (0.51) SLC18A3DGAT1NAMPTHTR2B
SCHEMBL3635417 0.85 PARP10 (0.53) ALDH1A1TSHRDGAT1KMT2AMEN1
SCHEMBL22542096 0.84 ALDH1A1 (0.57) SLC18A3ALDH1A1TSHRKMT2AMEN1
SCHEMBL12302212 0.84 GPR183 (0.57) ALDH1A1TSHRDGAT1KMT2AMEN1
SCHEMBL24451718 0.84 CCR1 (0.52) ALDH1A1TSHRKMT2AMEN1CCR5

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-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US claimed
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-07-02 US disclosed
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-23 US disclosed
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors VIA PHARMACEUTICALS, INC. 2009-04-16 US disclosed
US-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors MADRIGAL PHARMACEUTICALS, INC. 2009-04-09 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 (4 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-20090093497-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT SLC18A3 3271/4885ALDH1A1 573/4885TSHR 2277/4885
US-20090170864-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT SLC18A3 3271/4885ALDH1A1 573/4885TSHR 2277/4885
US-20090099201-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT SLC18A3 3271/4885ALDH1A1 573/4885TSHR 2277/4885
US-20090105273-A1 Diacylglycerol Acyltransferase Inhibitors DGAT2, DGAT1, LCAT SLC18A3 3271/4885ALDH1A1 573/4885TSHR 2277/4885

“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.