SCHEMBL20366346

SCHEMBL20366346

CCCCCCC(C)(CC)Cc1cccnc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59
CNR1 P21554 1/20 0.45
CNR2 P34972 1/20 0.45
MMP1 P03956 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
ADAM17 P78536 1/20 0.44
HRH1 P35367 2/20 0.43
TRPV1 Q8NER1 1/20 0.42
CYP2A6 P11509 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
HIF1A Q16665 1/20 0.41
RIPK1 Q13546 1/20 0.41
FAAH O00519 1/20 0.41
CHRNA7 P36544 2/20 0.41
CHRNB2 P17787 1/20 0.41

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
SCHEMBL22361502 0.94 L3MBTL1 (0.58) TDP1L3MBTL1MMP1MMP13ADAM17
SCHEMBL18400727 0.88 L3MBTL1 (0.53) TDP1L3MBTL1CYP2A6CYP1A2CYP3A4
SCHEMBL22430399 0.85 TDP1 (0.58) TDP1L3MBTL1CNR1CNR2MMP1
SCHEMBL13715387 0.84 L3MBTL1 (0.55) TDP1L3MBTL1CYP2A6CYP1A2CYP3A4
SCHEMBL11096844 0.81 TDP1 (0.57) TDP1L3MBTL1CNR1CNR2MMP1
SCHEMBL27498473 0.79 TDP1 (0.58) TDP1L3MBTL1CNR1CNR2MMP1
SCHEMBL25381172 0.77 TDP1 (0.96) TDP1L3MBTL1HRH1TRPV1CYP2A6
SCHEMBL25382598 0.77 TDP1 (0.96) TDP1L3MBTL1HRH1TRPV1CYP2A6
SCHEMBL6114977 0.77 TDP1 (0.96) TDP1L3MBTL1HRH1TRPV1CYP2A6
SCHEMBL25380936 0.77 TDP1 (0.96) TDP1L3MBTL1HRH1TRPV1CYP2A6

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-20180194757-A1 NEPRILYSIN INHIBITORS THERAVANCE BIOPHARMA R&D IP, LLC (US) 2018-07-12 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-20180194757-A1 NEPRILYSIN INHIBITORS MME, REN, ACE TDP1 1229/4885L3MBTL1 2129/4885CNR1 546/4885

“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.