SCHEMBL17019228

SCHEMBL17019228

CC(C)CCCCOC1(CI)CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
NPSR1 Q6W5P4 2/20 0.45
SMN1; SMN2 Q16637 3/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HDAC3 O15379 2/20 0.44
HDAC1 Q13547 2/20 0.44
HDAC2 Q92769 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
CYP2C19 P33261 1/20 0.42
ENPP2 Q13822 1/20 0.41
ATXN2 Q99700 1/20 0.41
KDM1A O60341 2/20 0.41
OPRD1 P41143 1/20 0.41
OPRK1 P41145 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP1A2 P05177 1/20 0.40
POLB P06746 1/20 0.40
CYP2C9 P11712 1/20 0.40

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
SCHEMBL17022176 0.88 OPRD1 (0.40) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL20135734 0.73 MEN1 (0.61) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL19764429 0.73 MEN1 (0.54) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL16980454 0.73 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31694368 0.73 MEN1 (0.57) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31556628 0.72 MEN1 (0.62) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL31694362 0.72 HDAC3 (0.50) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL29308991 0.72 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL13995270 0.72 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1
SCHEMBL4828154 0.72 MEN1 (0.56) MEN1KMT2ANPSR1SMN1; SMN2NPC1

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 2 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
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 MEN1 4323/4885KMT2A 4167/4885NPSR1 4805/4885

“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.