SCHEMBL1709312

SCHEMBL1709312

CCC(C)(C)C(=O)NCc1ccc(C)cc1

nearest known ligand 0.73

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 3/20 0.73
SMN1; SMN2 Q16637 2/20 0.53
NPC1 O15118 3/20 0.51
HPGD P15428 3/20 0.50
KDM4E B2RXH2 1/20 0.49
LMNA P02545 2/20 0.49
KMT2A Q03164 8/20 0.47
MEN1 O00255 7/20 0.47
RAB9A P51151 2/20 0.47
ALDH1A1 P00352 2/20 0.47
HDAC6 Q9UBN7 1/20 0.47
TP53 P04637 1/20 0.47
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA14 Q9ULX7 1/20 0.46

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
SCHEMBL16018740 0.86 RIPK1 (0.73) RIPK1HPGDKDM4EKMT2AMEN1
SCHEMBL1709361 0.85 RIPK1 (0.71) RIPK1HPGDKDM4ELMNAKMT2A
SCHEMBL1709321 0.84 RIPK1 (1.00) RIPK1SMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL14253969 0.84 HDAC6 (0.65) RIPK1SMN1; SMN2NPC1HPGDKDM4E
SCHEMBL15965766 0.83 RIPK1 (0.63) RIPK1HPGDLMNAHDAC6CA1
SCHEMBL27799310 0.82 RIPK1 (0.67) RIPK1LMNAHDAC6
SCHEMBL20221145 0.81 RIPK1 (0.71) RIPK1SMN1; SMN2LMNARAB9AALDH1A1
SCHEMBL14566921 0.81 RIPK1 (0.65) RIPK1HDAC6CA1CA2CA7
SCHEMBL12169297 0.81 SMN1; SMN2 (0.54) RIPK1SMN1; SMN2NPC1HPGDKDM4E
SCHEMBL27799295 0.80 RIPK1 (0.63) RIPK1LMNARAB9AHDAC6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101679457-A Piperazine and [1,4] diazepane derivatives as NK antagonists HOFFMANN LA ROCHE 2010-03-24 CN claimed
US-10017522-B2 Alpha helix mimetics and methods relating thereto Prism BioLab Co., Ltd. (JP) 2018-07-10 US disclosed
US-20130095429-A1 ACTINIC-RAY- OR RADIATION-SENSITIVE RESIN COMPOSITION AND METHOD OF FORMING PATTERN USING THE SAME FUJIFILM CORPORATION (JP) 2013-04-18 US disclosed
US-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PRISM BIOLAB CORPORATION (JP) 2012-04-12 US disclosed
CN-101679457-A Piperazine and [1,4] diazepane derivatives as NK antagonists HOFFMANN LA ROCHE 2010-03-24 CN 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 (2 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-20120088770-A1 ALPHA HELIX MIMETICS AND METHODS RELATING THERETO PLOD3, COL1A1, THPO RIPK1 4263/4885SMN1; SMN2 1774/4885NPC1 1968/4885
US-10017522-B2 Alpha helix mimetics and methods relating thereto PLOD3, COL1A1, THPO RIPK1 4263/4885SMN1; SMN2 1774/4885NPC1 1968/4885

“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.