SCHEMBL19600840

SCHEMBL19600840

CCCCOC(=O)c1ccc(N2CCNCC2)nc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RY12 Q9H244 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
LMNA P02545 4/20 0.47
CYP1A2 P05177 2/20 0.47
TSHR P16473 2/20 0.47
CYP2C19 P33261 2/20 0.47
ESR1 P03372 1/20 0.47
CYP2D6 P10635 1/20 0.47
MAPK1 P28482 1/20 0.47
NR1H2 P55055 1/20 0.47
RNASEL Q05823 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
PDE4D Q08499 1/20 0.46
HRH2 P25021 1/20 0.45

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
SCHEMBL386639 0.88 P2RY12 (0.60) P2RY12LMNAMAPK1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL25232851 0.86 P2RY12 (0.59) P2RY12LMNAMAPK1SMN1; SMN2KMT2A
Hydrochloric Acid SCHEMBL31570844 0.86 P2RY12 (0.59) P2RY12LMNAMAPK1SMN1; SMN2KMT2A
SCHEMBL19600800 0.85 HRH3 (0.49) P2RY12L3MBTL1LMNACYP1A2TSHR
SCHEMBL14025039 0.82 PIK3CA (0.58) L3MBTL1LMNACYP1A2TSHRCYP2C19
SCHEMBL19601063 0.82 HRH3 (0.48) P2RY12L3MBTL1LMNACYP1A2TSHR
SCHEMBL3918577 0.81 TSHR (0.56) LMNACYP1A2TSHRCYP2C19ESR1
SCHEMBL19600720 0.81 HRH3 (0.48) P2RY12L3MBTL1LMNACYP1A2TSHR
SCHEMBL532001 0.81 RAB9A (0.67) L3MBTL1MAPK1KMT2AMEN1NPC1
SCHEMBL19600884 0.80 GPR119 (0.52) P2RY12SMN1; SMN2KMT2AMEN1NPC1

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 P2RY12 4874/4885L3MBTL1 3009/4885LMNA 3171/4885

“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.