SCHEMBL19600885

SCHEMBL19600885

CCCCOC1CC(N2CCN(c3ccc(C(=O)O)cn3)CC2)C1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 9/20 0.46
OGA O60502 1/20 0.42
DGAT1 O75907 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KMT2A Q03164 1/20 0.42
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
SMO Q99835 1/20 0.41
P2RY12 Q9H244 1/20 0.40
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL19600744 0.90 HRH3 (0.46) HRH3OGANPC1RAB9AKMT2A
SCHEMBL19580874 0.82 SMO (0.51) HRH3OGADGAT1NPC1RAB9A
SCHEMBL19600751 0.78 HRH3 (0.56) HRH3NPC1RAB9AKMT2A
SCHEMBL19601033 0.78 HRH3 (0.56) HRH3NPC1RAB9AKMT2A
SCHEMBL19581011 0.78 OGA (0.48) HRH3OGANPC1RAB9AKMT2A
SCHEMBL29817233 0.78 OGA (0.48) HRH3OGANPC1RAB9AKMT2A
SCHEMBL19598759 0.76 HRH3 (0.52) HRH3NPC1RAB9AKMT2AME2
SCHEMBL7331983 0.75 TSHR (0.59) NPC1RAB9AKMT2AME2ME1
SCHEMBL7333300 0.75 TSHR (0.59) NPC1RAB9AKMT2AME2ME1
SCHEMBL19581023 0.73 KMT2A (0.50) HRH3NPC1RAB9AKMT2AME2

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 3784/4885OGA 681/4885DGAT1 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.