SCHEMBL19600800

SCHEMBL19600800

CCCCOC(=O)c1ccc(N2CCC(CO)CC2)nc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 4/20 0.49
P2RY12 Q9H244 1/20 0.46
DGAT1 O75907 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.45
KMT2A Q03164 2/20 0.44
MEN1 O00255 1/20 0.44
LMNA P02545 3/20 0.44
CYP1A2 P05177 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
ESR1 P03372 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP3A4 P08684 1/20 0.43
CYP2C9 P11712 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
SCHEMBL19600720 0.91 HRH3 (0.48) HRH3P2RY12DGAT1L3MBTL1KMT2A
SCHEMBL19601063 0.86 HRH3 (0.48) HRH3P2RY12DGAT1L3MBTL1KMT2A
SCHEMBL19600840 0.85 P2RY12 (0.48) HRH3P2RY12L3MBTL1KMT2AMEN1
SCHEMBL25141661 0.83 NPC1 (0.62) HRH3P2RY12KMT2ALMNATSHR
SCHEMBL24724875 0.82 TSHR (0.52) KMT2ALMNACYP1A2TSHRCYP2C19
SCHEMBL19601071 0.82 HRH3 (0.47) HRH3P2RY12DGAT1L3MBTL1KMT2A
SCHEMBL19600801 0.82 HRH3 (0.44) HRH3P2RY12DGAT1KMT2AMEN1
SCHEMBL19600721 0.81 HRH3 (0.43) HRH3P2RY12DGAT1L3MBTL1KMT2A
SCHEMBL19600723 0.81 HRH3 (0.45) HRH3P2RY12DGAT1LMNAOGA
SCHEMBL20423467 0.81 CRBN (0.51) HRH3KMT2AMEN1LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR ARVINAS OPERATIONS, INC. 2017-11-16 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-20170327469-A1 COMPOUNDS AND METHODS FOR THE TARGETED DEGRADATION OF ANDROGEN RECEPTOR AR, MDM2, ESRRA HRH3 3784/4885P2RY12 4874/4885DGAT1 3564/4885

“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.