SCHEMBL17022176

SCHEMBL17022176

CCCCO[C@H](C)CCCCOC1(CI)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 2/20 0.40
OPRK1 P41145 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HDAC3 O15379 1/20 0.40
HDAC2 Q92769 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ENPP2 Q13822 1/20 0.40
ATXN2 Q99700 1/20 0.40
CCR5 P51681 2/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
CYP2C19 P33261 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.38
POLB P06746 1/20 0.38
CYP2C9 P11712 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
SCHEMBL17019228 0.88 MEN1 (0.45) OPRD1OPRK1HDAC1HDAC6MEN1
SCHEMBL7299227 0.72 L3MBTL1 (0.59) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL22497991 0.71 SMN1; SMN2 (0.58) MEN1KMT2ANPSR1ENPP2CCR5
SCHEMBL17006200 0.71 SLC1A3 (0.37) MEN1KMT2ACYP2C19CYP1A2CYP2C9
SCHEMBL6538566 0.71 DRD2 (0.51) OPRD1OPRK1MEN1KMT2ANPSR1
SCHEMBL4461847 0.70 MEN1 (0.49) OPRD1OPRK1HDAC1HDAC6MEN1
SCHEMBL17006158 0.70 TSHR (0.42) OPRD1OPRK1MEN1KMT2ASMN1; SMN2
SCHEMBL17006008 0.70 TSHR (0.39) OPRD1OPRK1TSHR
SCHEMBL29308991 0.69 MEN1 (0.56) OPRD1OPRK1HDAC1HDAC6MEN1
SCHEMBL7002207 0.69 ALDH1A1 (0.53) OPRD1OPRK1MEN1KMT2ANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9273067-B2 Pyrazolopyrimidine macrocycles as inhibitors of human immunodeficiency virus replication BRISTOL-MYERS SQUIBB COMPANY (US) 2016-03-01 US disclosed
WO-2015126737-A1 PYRAZOLOPYRIMIDINE MACROCYCLES AS INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-08-27 WO disclosed
US-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2015-08-20 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-20150232481-A1 Pyrazolopyrimidine Macrocycles as Inhibitors of Human Immunodeficiency Virus Replication TYMP, EIF2AK2, MAVS OPRD1 3654/4885OPRK1 2880/4885HDAC1 1548/4885

“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.