SCHEMBL16505690

SCHEMBL16505690

CC(=O)N1CCN(c2cc(C(N)=O)nc(Cl)n2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.51
GBA1 P04062 1/20 0.48
NCF1 P14598 2/20 0.42
MAP4K4 O95819 1/20 0.41
SMO Q99835 2/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
PIK3CB P42338 1/20 0.40
CASP6 P55212 1/20 0.40
GFER P55789 1/20 0.40
PIK3CA P42336 1/20 0.40
HRH4 Q9H3N8 1/20 0.40
NAPEPLD Q6IQ20 1/20 0.39
CLK1 P49759 1/20 0.39
DPP4 P27487 1/20 0.39
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
PIK3CD O00329 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
SCHEMBL16506082 0.84 LMNA (0.59) LMNAGBA1PIK3CBHRH4NAPEPLD
SCHEMBL26604148 0.82 GBA1 (0.52) LMNAGBA1NCF1MAP4K4SMO
SCHEMBL21193554 0.81 GBA1 (0.66) GBA1NCF1SMOCKS1BSKP1
SCHEMBL14743849 0.75 LMNA (0.56) LMNAPIK3CBHRH4NAPEPLD
SCHEMBL16505734 0.74 LMNA (0.54) LMNAPIK3CBNAPEPLD
SCHEMBL19956116 0.74 LMNA (0.50) LMNANAPEPLD
SCHEMBL16506079 0.74 LMNA (0.50) LMNANAPEPLD
SCHEMBL19691058 0.74 GBA1 (0.52) GBA1NCF1MAP4K4SMOCKS1B
SCHEMBL21193615 0.72 TRPV1 (0.62) MAP4K4SMOCKS1BSKP1SKP2
SCHEMBL16506013 0.72 LMNA (0.51) LMNAPIK3CBGFERNAPEPLD

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
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2017-07-27 US disclosed
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2016-06-30 US disclosed
EP-3036229-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. Hoffmann-La Roche AG (CH) 2016-06-29 EP disclosed
WO-2015025026-A1 ALKYNYL ALCOHOLS AND METHODS OF USE F. HOFFMANN-LA ROCHE AG (CH) 2015-02-26 WO disclosed
US-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE GENENTECH, INC. (US) 2015-02-26 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 (3 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-20150057260-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA LMNA 426/4885GBA1 788/4885NCF1 850/4885
US-20170210724-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA LMNA 426/4885GBA1 788/4885NCF1 850/4885
US-20160185797-A1 ALKYNYL ALCOHOLS AND METHODS OF USE NFKB2, NFKB1, NFKBIA LMNA 426/4885GBA1 788/4885NCF1 850/4885

“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.